UDQ
Summary
| Name: | N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide |
| Synonyms: | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide |
| Formula: | C24 H34 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 438.566 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H34N6O2/c1-25-21-14-22(28-18-27-21)30-13-5-10-24(32,17-30)16-26-23(31)20-8-6-19(7-9-20)15-29-11-3-2-4-12-29/h6-9,14,18,32H,2-5,10-13,15-17H2,1H3,(H,26,31)(H,25,27,28)/t24-/m1/s1 |
| InChIKey | InChI | 1.03 | OUFLYLBALJIUPJ-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(ncn1)N2CCC[C@@](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2 |
| SMILES | CACTVS | 3.385 | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cc(ncn1)N2CCCC(C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O |
