NPZ
Summary
| Name: | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula: | C16 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 275.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.5.0 | 1-methyl-3-naphthalen-2-yl-pyrazolo[4,5-e]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1nc(c2ccc3ccccc3c2)c4c(N)ncnc14 |
| SMILES | CACTVS | 3.341 | Cn1nc(c2ccc3ccccc3c2)c4c(N)ncnc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N |
| InChI | InChI | 1.03 | InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19) |
| InChIKey | InChI | 1.03 | UOKGZPYGRJDACN-UHFFFAOYSA-N |
