LMM
Summary
| Name: | N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine |
| Formula: | C17 H17 F N8 S |
| Formal charge: | 0 |
| Formula weight: | 384.434 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N~4~-(1-methyl-1H-imidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | N2-[(1S)-1-(5-fluoranylpyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cnc(nc1)C(Nc2nc(c3scc(c3n2)C)Nc4ncn(c4)C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H17FN8S/c1-9-7-27-14-13(9)24-17(22-10(2)15-19-4-11(18)5-20-15)25-16(14)23-12-6-26(3)8-21-12/h4-8,10H,1-3H3,(H2,22,23,24,25)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | DVWTWOHVDUVPJV-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1nc(Nc2cn(C)cn2)c3scc(C)c3n1)c4ncc(F)cn4 |
| SMILES | CACTVS | 3.385 | C[CH](Nc1nc(Nc2cn(C)cn2)c3scc(C)c3n1)c4ncc(F)cn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1csc2c1nc(nc2Nc3cn(cn3)C)NC(C)c4ncc(cn4)F |
