7JM
Summary
| Name: | 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
| Synonyms: | 8-hydroxy-6-(2-methylpyridin-3-yl)-3H-quinazolin-4-one |
| Formula: | C14 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 253.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3O2/c1-8-10(3-2-4-15-8)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h2-7,18H,1H3,(H,16,17,19) |
| InChIKey | InChI | 1.03 | VPSVVKQCDRXIFW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2 |
| SMILES | CACTVS | 3.385 | Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O |
