4-[2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetyl]benzonitrile CAS Name: 4-[2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetyl]benzonitrile Traditional Name: 4-[2-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]acetyl]benzonitrile Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N7O3/c1-16(2)8-11-30-20-21(27-23(30)29-12-9-26-10-13-29)28(3)24(34)31(22(20)33)15-19(32)18-6-4-17(14-25)5-7-18/h4-8,26H,9-13,15H2,1-3H3