N4-(2,5-dimethoxyphenyl)-N6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-N6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-6-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(2,5-dimethoxyanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-isobutyl-amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC(C)CNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H26N6O2/c1-15(2)13-24-23-27-21(26-19-12-17(30-3)10-11-20(19)31-4)18-14-25-29(22(18)28-23)16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3,(H2,24,26,27,28)