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

Systemtic Name: 4-[1-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[1-(3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)ethyl]benzonitrile CAS Name: 4-[1-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]ethyl]benzonitrile IUPAC Name: 4-[1-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)ethyl]benzonitrile Traditional Name: 4-[1-(2,6-diketo-3-methyl-8-piperazino-purin-7-yl)ethyl]benzonitrile Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H21N7O2/c1-12(14-5-3-13(11-20)4-6-14)26-15-16(24(2)19(28)23-17(15)27)22-18(26)25-9-7-21-8-10-25/h3-6,12,21H,7-10H2,1-2H3,(H,23,27,28)