CWS
Summary
| Name: | 6-METHYLQUINAZOLIN-4-AMINE |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methylquinazolin-4-amine |
| OpenEye OEToolkits | 1.9.2 | 6-methylquinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(cc(cc1)C)c(nc2)N |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3/c1-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | QLGGAJVPIQZKIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2ncnc(N)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2ncnc(N)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)c(ncn2)N |
