CP6
Summary
| Name: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE |
| Synonyms: | PYRIMETHAMINE |
| Formula: | C12 H13 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 248.711 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2ccc(c1c(nc(nc1CC)N)N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.341 | CCc1nc(N)nc(N)c1c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
| InChIKey | InChI | 1.03 | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
