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

Systemtic Name: 2-ethanoyl-3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]benzenecarbonitrile Openeye Name: 2-acetyl-3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]benzonitrile CAS Name: 2-acetyl-3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]benzonitrile IUPAC Name: 2-acetyl-3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]benzonitrile Traditional Name: 2-acetyl-3-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]benzonitrile Formula: C24H27N7O3 MolecularWeight: 461.51628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C4=CC=CC(=C4C(=O)C)C#N)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C4=CC=CC(=C4C(=O)C)C#N)C)C

InChI

InChI=1S/C24H27N7O3/c1-15(2)8-11-30-20-21(27-23(30)29-12-9-26-10-13-29)28(4)24(34)31(22(20)33)18-7-5-6-17(14-25)19(18)16(3)32/h5-8,26H,9-13H2,1-4H3