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

Systemtic Name: 3-[[1-ethyl-3-(4-methylphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[1-ethyl-2,6-dioxo-3-(p-tolyl)purin-7-yl]methyl]benzonitrile CAS Name: 3-[[1-ethyl-3-(4-methylphenyl)-2,6-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 3-[[1-ethyl-3-(4-methylphenyl)-2,6-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 3-[[1-ethyl-2,6-diketo-3-(p-tolyl)purin-7-yl]methyl]benzonitrile Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=CC(=C3)C#N)N(C1=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=CC(=C3)C#N)N(C1=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H19N5O2/c1-3-26-21(28)19-20(27(22(26)29)18-9-7-15(2)8-10-18)24-14-25(19)13-17-6-4-5-16(11-17)12-23/h4-11,14H,3,13H2,1-2H3