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

Systemtic Name: 2-[[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]methyl]benzonitrile Formula: C23H27N7O2 MolecularWeight: 433.50618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4C#N)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4C#N)C)C

InChI

InChI=1S/C23H27N7O2/c1-16(2)8-11-29-19-20(26-22(29)28-12-9-25-10-13-28)27(3)23(32)30(21(19)31)15-18-7-5-4-6-17(18)14-24/h4-8,25H,9-13,15H2,1-3H3