M00
Summary
| Name: | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide |
| Formula: | C15 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 289.33 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide |
| OpenEye OEToolkits | 1.7.6 | N-[(2S)-1-oxidanylbutan-2-yl]-3-(4-oxidanylidene-3H-quinazolin-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(CC)CO)CCC2=Nc1c(cccc1)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | INPZIMSQNZGLHQ-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1 |
| SMILES | CACTVS | 3.370 | CC[CH](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1 |
