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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4C#N

InChI

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