H6X
Summary
| Name: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine |
| Formula: | C31 H42 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 546.704 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[2-(3,5-dimethoxyphenyl)ethyl]-~{N}-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C31H42N6O3/c1-35-13-15-36(16-14-35)26-9-11-37(12-10-26)29-8-7-25(19-30(29)40-4)34-31-32-21-24(22-33-31)6-5-23-17-27(38-2)20-28(18-23)39-3/h7-8,17-22,26H,5-6,9-16H2,1-4H3,(H,32,33,34) |
| InChIKey | InChI | 1.03 | KTAFHTVOQVOCCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCc2cnc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)nc2)cc(OC)c1 |
| SMILES | CACTVS | 3.385 | COc1cc(CCc2cnc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)nc2)cc(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC |
