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

Systemtic Name: N6-butyl-N4-(4-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-1-phenyl-N4-(p-tolyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[1-phenyl-4-(p-toluidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H24N6 MolecularWeight: 372.46616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)C

InChI

InChI=1S/C22H24N6/c1-3-4-14-23-22-26-20(25-17-12-10-16(2)11-13-17)19-15-24-28(21(19)27-22)18-8-6-5-7-9-18/h5-13,15H,3-4,14H2,1-2H3,(H2,23,25,26,27)