3PF
Summary
| Name: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one |
| Formula: | C9 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 162.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-3,4-dihydroquinazolin-2(1H)-one |
| OpenEye OEToolkits | 1.7.0 | 3-methyl-1,4-dihydroquinazolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Nc1c(cccc1)CN2C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1Cc2ccccc2NC1=O |
| SMILES | CACTVS | 3.370 | CN1Cc2ccccc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1Cc2ccccc2NC1=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1Cc2ccccc2NC1=O |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12) |
| InChIKey | InChI | 1.03 | GINUUQLRYXHAPB-UHFFFAOYSA-N |
