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

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)methyl]benzonitrile CAS Name: 3-[[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]methyl]benzonitrile IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)methyl]benzonitrile Traditional Name: 3-[(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(=C4)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC(=C4)C#N

InChI

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