N3-(3-chlorophenyl)-N4-phenyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N3-(3-chlorophenyl)-N4-phenyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: 1-benzyl-N3-(3-chlorophenyl)-N4-phenyl-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N3-(3-chlorophenyl)-N4-phenyl-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 1-benzyl-3-N-(3-chlorophenyl)-4-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: (4-anilino-1-benzyl-pyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)amine Formula: C24H19ClN6 MolecularWeight: 426.90086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC4=CC=CC=C4)C(=N2)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC4=CC=CC=C4)C(=N2)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H19ClN6/c25-18-10-7-13-20(14-18)29-23-21-22(28-19-11-5-2-6-12-19)26-16-27-24(21)31(30-23)15-17-8-3-1-4-9-17/h1-14,16H,15H2,(H,29,30)(H,26,27,28)