2ZX
Summary
| Name: | 6-chloropyrimidine-2,4-diamine |
| Formula: | C4 H5 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 144.562 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloropyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.7.6 | 6-chloranylpyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1nc(nc(N)c1)N |
| InChI | InChI | 1.03 | InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9) |
| InChIKey | InChI | 1.03 | QJIUMVUZDYPQRT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(Cl)nc(N)n1 |
| SMILES | CACTVS | 3.385 | Nc1cc(Cl)nc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(nc(nc1Cl)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nc(nc1Cl)N)N |
