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

Systemtic Name: N4-(3-chlorophenyl)-N3-(1-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: N4-(3-chlorophenyl)-N3-(1-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: N4-(3-chlorophenyl)-N3-(1-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 4-N-(3-chlorophenyl)-3-N-(1-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [4-(3-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-(1-phenylethyl)amine Formula: C19H17ClN6 MolecularWeight: 364.83148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NNC3=C2C(=NC=N3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H17ClN6/c1-12(13-6-3-2-4-7-13)23-19-16-17(21-11-22-18(16)25-26-19)24-15-9-5-8-14(20)10-15/h2-12H,1H3,(H3,21,22,23,24,25,26)