Q25
Summary
| Name: | 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
| Formula: | C18 H20 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 361.889 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-3-[(2-hexyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20ClN3OS/c1-2-3-4-5-6-17-21-14(11-24-17)10-22-12-20-16-8-7-13(19)9-15(16)18(22)23/h7-9,11-12H,2-6,10H2,1H3 |
| InChIKey | InChI | 1.03 | YNXMDRHVOXTCAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl |
