OA4
Summary
| Name: | 5-methyl-6-phenylquinazoline-2,4-diamine |
| Formula: | C15 H14 N4 |
| Formal charge: | 0 |
| Formula weight: | 250.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-methyl-6-phenylquinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.6.1 | 5-methyl-6-phenyl-quinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c1c(c(c(cc1)c2ccccc2)C)c(nc3N)N |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1c(ccc2nc(N)nc(N)c12)c3ccccc3 |
| SMILES | CACTVS | 3.352 | Cc1c(ccc2nc(N)nc(N)c12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19) |
| InChIKey | InChI | 1.03 | HUCOXWPHDFINIW-UHFFFAOYSA-N |
