2-[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]phenyl]benzonitrile Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H17N5O2/c1-24-19-18(20(27)25(2)21(24)28)26(13-23-19)12-14-7-9-15(10-8-14)17-6-4-3-5-16(17)11-22/h3-10,13H,12H2,1-2H3