2-[[7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]methyl]benzonitrile Traditional Name: 2-[[7-(2-chlorophenyl)-2,6-diketo-3-methyl-8-piperazino-purin-1-yl]methyl]benzonitrile Formula: C24H22ClN7O2 MolecularWeight: 475.93018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3C#N)N(C(=N2)N4CCNCC4)C5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3C#N)N(C(=N2)N4CCNCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H22ClN7O2/c1-29-21-20(22(33)31(24(29)34)15-17-7-3-2-6-16(17)14-26)32(19-9-5-4-8-18(19)25)23(28-21)30-12-10-27-11-13-30/h2-9,27H,10-13,15H2,1H3