BK1
Summary
| Name: | 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Synonyms: | 4-Amino-1-iso-propyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine |
| Formula: | C19 H19 N5 |
| Formal charge: | 0 |
| Formula weight: | 317.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 3-(naphthalen-1-ylmethyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.6.1 | 3-(naphthalen-1-ylmethyl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14 |
| SMILES | CACTVS | 3.352 | CC(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N |
| InChI | InChI | 1.03 | InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22) |
| InChIKey | InChI | 1.03 | QFGDRGRJMYSRIW-UHFFFAOYSA-N |
