Q4W
Summary
| Name: | 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
| Formula: | C15 H16 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 321.825 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXMPGCMASPZREE-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1NC(=CS1)CN2C=Nc3ccc(Cl)cc3C2=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1NC(=CS1)CN2C=Nc3ccc(Cl)cc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl |
