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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]benzenecarbonitrile Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)benzonitrile CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]benzonitrile IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)benzonitrile Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)benzonitrile Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C#N

InChI

InChI=1S/C18H19N7O2/c1-22-15-14(16(26)23(2)18(22)27)25(13-6-4-3-5-12(13)11-19)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-10H2,1-2H3