A1JJA
Summary
| Name: | 8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one |
| Formula: | C25 H35 N7 O |
| Formal charge: | 0 |
| Formula weight: | 449.592 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]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/C25H35N7O/c1-24(2)8-10-30(11-9-24)13-19-4-6-20(7-5-19)31-14-23(33)29-25(15-31)16-32(17-25)22-12-21(26-3)27-18-28-22/h4-7,12,18H,8-11,13-17H2,1-3H3,(H,29,33)(H,26,27,28) |
| InChIKey | InChI | 1.06 | UJYDWVTUEGVWPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(ncn1)N2CC3(CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4)C2 |
| SMILES | CACTVS | 3.385 | CNc1cc(ncn1)N2CC3(CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CN(C4)c5cc(ncn5)NC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CN(C4)c5cc(ncn5)NC)C |
