M5N
Summary
| Name: | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one |
| Formula: | C11 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 192.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | HEXVASBLYUHGSF-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=NC(=O)N=C2CCCC[C@H]12 |
| SMILES | CACTVS | 3.385 | CC(C)C1=NC(=O)N=C2CCCC[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C1=NC(=O)N=C2C1CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1=NC(=O)N=C2C1CCCC2 |
