D64
Summary
| Name: | 6-(4-methylphenyl)quinazoline-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 | 6-(4-methylphenyl)quinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-(4-methylphenyl)quinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c1c(cc(cc1)c2ccc(cc2)C)c(nc3N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1)c2ccc3nc(N)nc(N)c3c2 |
| SMILES | CACTVS | 3.341 | Cc1ccc(cc1)c2ccc3nc(N)nc(N)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4/c1-9-2-4-10(5-3-9)11-6-7-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19) |
| InChIKey | InChI | 1.03 | NTHVHSAKVYNNGQ-UHFFFAOYSA-N |
