7Z9
Summary
| Name: | 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one |
| Synonyms: | Nolatrexed 2-Amino-6-methyl-5-(4-pyridylthio)-1H-quinazolin-4-one |
| Formula: | C14 H12 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 284.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19) |
| InChIKey | InChI | 1.03 | XHWRWCSCBDLOLM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2N=C(N)NC(=O)c2c1Sc3ccncc3 |
| SMILES | CACTVS | 3.385 | Cc1ccc2N=C(N)NC(=O)c2c1Sc3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N |
