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

Systemtic Name: 2-[[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2,6-diketo-7-(2-methoxyphenyl)-3-methyl-8-piperazino-purin-1-yl]methyl]benzonitrile Formula: C25H25N7O3 MolecularWeight: 471.5111

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=C5OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3C#N)N(C(=N2)N4CCNCC4)C5=CC=CC=C5OC

InChI

InChI=1S/C25H25N7O3/c1-29-22-21(23(33)31(25(29)34)16-18-8-4-3-7-17(18)15-26)32(19-9-5-6-10-20(19)35-2)24(28-22)30-13-11-27-12-14-30/h3-10,27H,11-14,16H2,1-2H3