UE2
Summary
| Name: | (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide |
| Synonyms: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide |
| Formula: | C26 H38 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 466.619 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H38N6O2/c1-25(2)10-13-31(14-11-25)16-20-5-7-21(8-6-20)24(33)28-17-26(34)9-4-12-32(18-26)23-15-22(27-3)29-19-30-23/h5-8,15,19,34H,4,9-14,16-18H2,1-3H3,(H,28,33)(H,27,29,30)/t26-/m1/s1 |
| InChIKey | InChI | 1.03 | IIFMUBYLGZFTQM-AREMUKBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(ncn1)N2CCC[C@@](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3)C2 |
| SMILES | CACTVS | 3.385 | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NC)O)C |
