ABJ
Summary
| Name: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL |
| Formula: | C14 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 269.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol |
| OpenEye OEToolkits | 1.5.0 | 3-(4-amino-1-propan-2-yl-pyrazolo[4,5-e]pyrimidin-3-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)n(nc2c3cccc(O)c3)C(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)n1nc(c2cccc(O)c2)c3c(N)ncnc13 |
| SMILES | CACTVS | 3.341 | CC(C)n1nc(c2cccc(O)c2)c3c(N)ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N |
| InChI | InChI | 1.03 | InChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9/h3-8,20H,1-2H3,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | MWYBBCLGEHZSCP-UHFFFAOYSA-N |
