984
Summary
| Name: | CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE |
| Formula: | C25 H30 Cl2 N6 |
| Formal charge: | 0 |
| Formula weight: | 485.452 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine |
| OpenEye OEToolkits | 1.5.0 | N-cyclopropyl-4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propyl-imidazol-4-yl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1Cl)c4nc(n(c4c2nc(ncc2)NC3CC3)CCC)C5CCN(C)CC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCn1c(nc(c2ccc(Cl)c(Cl)c2)c1c3ccnc(NC4CC4)n3)C5CCN(C)CC5 |
| SMILES | CACTVS | 3.341 | CCCn1c(nc(c2ccc(Cl)c(Cl)c2)c1c3ccnc(NC4CC4)n3)C5CCN(C)CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5 |
| InChI | InChI | 1.03 | InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30) |
| InChIKey | InChI | 1.03 | XCTKFTOEAKJMII-UHFFFAOYSA-N |
