2O5
Summary
| Name: | (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid |
| Formula: | C20 H17 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 380.828 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc1ccc(cc1)Nc2nc(nc(n2)C3CC3)c4cccc(Cl)c4 |
| InChI | InChI | 1.03 | InChI=1S/C20H17ClN4O2/c21-15-3-1-2-14(11-15)19-23-18(13-6-7-13)24-20(25-19)22-16-8-4-12(5-9-16)10-17(26)27/h1-5,8-9,11,13H,6-7,10H2,(H,26,27)(H,22,23,24,25) |
| InChIKey | InChI | 1.03 | CJQFUKZLNADPJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(Nc2nc(nc(n2)c3cccc(Cl)c3)C4CC4)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(Nc2nc(nc(n2)c3cccc(Cl)c3)C4CC4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4 |
