7JV
Summary
| Name: | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one |
| Synonyms: | 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one |
| Formula: | C16 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 282.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20) |
| InChIKey | InChI | 1.03 | CBWCDEQPQXXGLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2 |
| SMILES | CACTVS | 3.385 | COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O |
