4ER
Summary
| Name: | 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine |
| Formula: | C9 H8 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 221.646 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine |
| OpenEye OEToolkits | 1.9.2 | 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(cccc1)c2nc(nc(n2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15) |
| InChIKey | InChI | 1.03 | RDRNLYCDZBVQKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)nc(n1)c2ccccc2Cl |
| SMILES | CACTVS | 3.385 | Nc1nc(N)nc(n1)c2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)c2nc(nc(n2)N)N)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)c2nc(nc(n2)N)N)Cl |
