N3-(3-chlorophenyl)-N4-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: N3-(3-chlorophenyl)-N4-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N4-benzyl-N3-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N3-(3-chlorophenyl)-N4-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 4-N-benzyl-3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: benzyl-[3-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H15ClN6 MolecularWeight: 350.8049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=NNC(=C32)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=NNC(=C32)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-18-15-16(21-11-22-17(15)24-25-18)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)