1AV
Summary
| Name: | 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine |
| Formula: | C13 H9 N7 S |
| Formal charge: | 0 |
| Formula weight: | 295.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine |
| OpenEye OEToolkits | 1.7.6 | 7-imidazol-1-yl-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2nc(sc2nc1N)c3cccnc3)n4ccnc4 |
| InChI | InChI | 1.03 | InChI=1S/C13H9N7S/c14-13-18-10(20-5-4-16-7-20)9-12(19-13)21-11(17-9)8-2-1-3-15-6-8/h1-7H,(H2,14,18,19) |
| InChIKey | InChI | 1.03 | FTDVRDNCBWDKFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc2sc(nc2c(n1)n3ccnc3)c4cccnc4 |
| SMILES | CACTVS | 3.370 | Nc1nc2sc(nc2c(n1)n3ccnc3)c4cccnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4 |
