M3W
Summary
| Name: | 8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE |
| Formula: | C16 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 250.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) |
| InChIKey | InChI | 1.03 | VKQCBCMAFAIWOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C2=Nc3c(C)cccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C2=Nc3c(C)cccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C |
