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

Systemtic Name: N4-(3-methylphenyl)-1-phenyl-N6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(m-tolyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-1-phenyl-N6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: benzyl-[4-(m-toluidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C25H22N6 MolecularWeight: 406.48238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C25H22N6/c1-18-9-8-12-20(15-18)28-23-22-17-27-31(21-13-6-3-7-14-21)24(22)30-25(29-23)26-16-19-10-4-2-5-11-19/h2-15,17H,16H2,1H3,(H2,26,28,29,30)