A1JJH
Summary
| Name: | 8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one |
| Formula: | C25 H35 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 465.591 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H35N7O2/c1-24(2)6-8-30(9-7-24)12-18-4-5-19(20(33)10-18)31-13-23(34)29-25(14-31)15-32(16-25)22-11-21(26-3)27-17-28-22/h4-5,10-11,17,33H,6-9,12-16H2,1-3H3,(H,29,34)(H,26,27,28) |
| InChIKey | InChI | 1.06 | UPJFRQDGSCJBKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(ncn1)N2CC3(CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4O)C2 |
| SMILES | CACTVS | 3.385 | CNc1cc(ncn1)N2CC3(CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(c(c2)O)N3CC(=O)NC4(C3)CN(C4)c5cc(ncn5)NC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(c(c2)O)N3CC(=O)NC4(C3)CN(C4)c5cc(ncn5)NC)C |
