N6-butyl-N6-methyl-N4-(4-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N6-methyl-N4-(4-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N6-methyl-1-phenyl-N4-(p-tolyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N6-methyl-N4-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-6-N-methyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-methyl-[1-phenyl-4-(p-toluidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H26N6 MolecularWeight: 386.49274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCN(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)C

InChI

InChI=1S/C23H26N6/c1-4-5-15-28(3)23-26-21(25-18-13-11-17(2)12-14-18)20-16-24-29(22(20)27-23)19-9-7-6-8-10-19/h6-14,16H,4-5,15H2,1-3H3,(H,25,26,27)