data_SVN
# 
_chem_comp.id                                    SVN 
_chem_comp.name                                  "thieno[2,3-b]pyrazin-7-amine" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H5 N3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2014-01-08 
_chem_comp.pdbx_modified_date                    2014-04-11 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        151.189 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     SVN 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        4NYC 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
SVN CAD CAD C 0 1 Y N N 24.755 -1.449 -0.971 -2.099 0.203  -0.004 CAD SVN 1  
SVN SAG SAG S 0 1 Y N N 26.378 -1.144 -1.369 -1.149 1.676  -0.001 SAG SVN 2  
SVN CAI CAI C 0 1 Y N N 26.069 0.394  -2.046 0.366  0.781  0.003  CAI SVN 3  
SVN NAE NAE N 0 1 Y N N 26.907 1.309  -2.555 1.627  1.214  0.002  NAE SVN 4  
SVN CAB CAB C 0 1 Y N N 26.432 2.544  -3.013 2.625  0.354  -0.000 CAB SVN 5  
SVN CAC CAC C 0 1 Y N N 25.066 2.782  -2.936 2.370  -1.009 -0.003 CAC SVN 6  
SVN NAF NAF N 0 1 Y N N 24.255 1.770  -2.409 1.134  -1.456 -0.002 NAF SVN 7  
SVN CAJ CAJ C 0 1 Y N N 24.753 0.606  -1.961 0.101  -0.596 0.001  CAJ SVN 8  
SVN CAH CAH C 0 1 Y N N 24.064 -0.390 -1.393 -1.328 -0.871 0.003  CAH SVN 9  
SVN NAA NAA N 0 1 N N N 22.739 -0.421 -1.289 -1.848 -2.179 0.002  NAA SVN 10 
SVN H1  H1  H 0 1 N N N 24.362 -2.325 -0.476 -3.179 0.176  -0.008 H1  SVN 11 
SVN H2  H2  H 0 1 N N N 27.106 3.287  -3.413 3.644  0.712  -0.001 H2  SVN 12 
SVN H3  H3  H 0 1 N N N 24.643 3.717  -3.272 3.193  -1.709 -0.005 H3  SVN 13 
SVN H4  H4  H 0 1 N N N 22.460 -1.264 -0.829 -1.247 -2.941 0.000  H4  SVN 14 
SVN H5  H5  H 0 1 N N N 22.428 0.367  -0.758 -2.808 -2.319 0.003  H5  SVN 15 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
SVN CAB CAC DOUB Y N 1  
SVN CAB NAE SING Y N 2  
SVN CAC NAF SING Y N 3  
SVN NAE CAI DOUB Y N 4  
SVN NAF CAJ DOUB Y N 5  
SVN CAI CAJ SING Y N 6  
SVN CAI SAG SING Y N 7  
SVN CAJ CAH SING Y N 8  
SVN CAH NAA SING N N 9  
SVN CAH CAD DOUB Y N 10 
SVN SAG CAD SING Y N 11 
SVN CAD H1  SING N N 12 
SVN CAB H2  SING N N 13 
SVN CAC H3  SING N N 14 
SVN NAA H4  SING N N 15 
SVN NAA H5  SING N N 16 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
SVN SMILES           ACDLabs              12.01 "n1c2scc(c2ncc1)N"                                     
SVN InChI            InChI                1.03  "InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2" 
SVN InChIKey         InChI                1.03  ZRVKSPNBHZCQKY-UHFFFAOYSA-N                            
SVN SMILES_CANONICAL CACTVS               3.385 Nc1csc2nccnc12                                         
SVN SMILES           CACTVS               3.385 Nc1csc2nccnc12                                         
SVN SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "c1cnc2c(n1)c(cs2)N"                                   
SVN SMILES           "OpenEye OEToolkits" 1.7.6 "c1cnc2c(n1)c(cs2)N"                                   
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
SVN "SYSTEMATIC NAME" ACDLabs              12.01 "thieno[2,3-b]pyrazin-7-amine" 
SVN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "thieno[2,3-b]pyrazin-7-amine" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
SVN "Create component" 2014-01-08 RCSB 
SVN "Initial release"  2014-04-16 RCSB 
#