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

Systemtic Name: N4-(4-methoxyphenyl)-N6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-isobutyl-N4-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-N6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: isobutyl-[4-(p-anisidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O/c1-15(2)13-23-22-26-20(25-16-9-11-18(29-3)12-10-16)19-14-24-28(21(19)27-22)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,23,25,26,27)