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

Systemtic Name: N4-(4-chlorophenyl)-N6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chlorophenyl)-N6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chlorophenyl)-N6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-isobutyl-amine Formula: C21H21ClN6 MolecularWeight: 392.88464

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN6/c1-14(2)12-23-21-26-19(25-16-10-8-15(22)9-11-16)18-13-24-28(20(18)27-21)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H2,23,25,26,27)