MAQ
Summary
| Name: | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE |
| Formula: | C9 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 175.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-8-methylquinazolin-4(1H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-8-methyl-1H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N=C(Nc1c2cccc1C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc2C(=O)N=C(N)Nc12 |
| SMILES | CACTVS | 3.341 | Cc1cccc2C(=O)N=C(N)Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1NC(=NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1NC(=NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13) |
| InChIKey | InChI | 1.03 | NLLZAHIPYDRNRQ-UHFFFAOYSA-N |
