ZXC
Summary
| Name: | N-(9H-purin-6-yl)thiophene-2-carboxamide |
| Formula: | C10 H7 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 245.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-(9H-purin-6-yl)thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H7N5OS/c16-10(6-2-1-3-17-6)15-9-7-8(12-4-11-7)13-5-14-9/h1-5H,(H2,11,12,13,14,15,16) |
| InChIKey | InChI | 1.03 | AARNVVCHOMHOPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ncnc2[nH]cnc12)c3sccc3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ncnc2[nH]cnc12)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2 |
