A1BNR
Summary
| Name: | N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide |
| Formula: | C16 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 317.406 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-cyclohexyl-2-[(4-oxidanylidene-1~{H}-quinazolin-2-yl)sulfanyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1N=C(SCC(=O)NC2CCCCC2)Nc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O2S/c20-14(17-11-6-2-1-3-7-11)10-22-16-18-13-9-5-4-8-12(13)15(21)19-16/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19,21) |
| InChIKey | InChI | 1.06 | JRPDLGLCHZXWTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CSC1=NC(=O)c2ccccc2N1)NC3CCCCC3 |
| SMILES | CACTVS | 3.385 | O=C(CSC1=NC(=O)c2ccccc2N1)NC3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C(=O)N=C(N2)SCC(=O)NC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C(=O)N=C(N2)SCC(=O)NC3CCCCC3 |
