IEE
Summary
| Name: | 6-CHLORO-4-N-[(4-METHYLPHENYL)METHYL]PYRIMIDINE- 2,4-DIAMINE |
| Formula: | C12 H13 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 248.711 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 6-chloranyl-N4-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClN4/c1-8-2-4-9(5-3-8)7-15-11-6-10(13)16-12(14)17-11/h2-6H,7H2,1H3,(H3,14,15,16,17) |
| InChIKey | InChI | 1.03 | NOJKOTBYOAEOFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CNc2cc(Cl)nc(N)n2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CNc2cc(Cl)nc(N)n2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl |
