NUN
Summary
| Name: | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one |
| Formula: | C18 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 310.413 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one |
| OpenEye OEToolkits | 2.0.7 | 1-benzo[h]quinazolin-2-ylsulfanyl-3,3-dimethyl-butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1 |
| InChI | InChI | 1.03 | InChI=1S/C18H18N2OS/c1-18(2,3)15(21)11-22-17-19-10-13-9-8-12-6-4-5-7-14(12)16(13)20-17/h4-10H,11H2,1-3H3 |
| InChIKey | InChI | 1.03 | VMPYQZVECCZOSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1 |
