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

Systemtic Name: N4-(3-chlorophenyl)-N3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N3-benzyl-N4-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(3-chlorophenyl)-N3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 3-N-benzyl-4-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: benzyl-[4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]amine Formula: C18H15ClN6 MolecularWeight: 350.8049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

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