UWB
Summary
| Name: | 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C23 H26 N6 O |
| Formal charge: | 0 |
| Formula weight: | 402.492 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.9.2 | 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4cc3cc(OCC)ccc3cc4)CC5CCNCC5)N |
| InChI | InChI | 1.03 | InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-3-4-17(11-18(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27) |
| InChIKey | InChI | 1.03 | KMHCRQINFJTBPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc2ccc(cc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35 |
| SMILES | CACTVS | 3.385 | CCOc1ccc2ccc(cc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N |
