QAE
Summary
| Name: | 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
| Formula: | C17 H18 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 347.862 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-3-[(2-pentyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18ClN3OS/c1-2-3-4-5-16-20-13(10-23-16)9-21-11-19-15-7-6-12(18)8-14(15)17(21)22/h6-8,10-11H,2-5,9H2,1H3 |
| InChIKey | InChI | 1.03 | NHLFNYUFUYOOKX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 |
| SMILES | CACTVS | 3.385 | CCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl |
