WI4
Summary
| Name: | N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine |
| Formula: | C13 H10 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 271.705 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine |
| OpenEye OEToolkits | 1.7.6 | N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1Nc2ncnc(n2)n3cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18) |
| InChIKey | InChI | 1.03 | OQHYTNFJMHVUCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccccc1Nc2ncnc(n2)n3cccc3 |
| SMILES | CACTVS | 3.370 | Clc1ccccc1Nc2ncnc(n2)n3cccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl |
