4-[[8-methoxy-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[8-methoxy-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(8-methoxy-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]benzonitrile CAS Name: 4-[(8-methoxy-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]benzonitrile IUPAC Name: 4-[(8-methoxy-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]benzonitrile Traditional Name: 4-[(2,6-diketo-8-methoxy-1,3-dimethyl-purin-7-yl)methyl]benzonitrile Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O3/c1-19-13-12(14(22)20(2)16(19)23)21(15(18-13)24-3)9-11-6-4-10(8-17)5-7-11/h4-7H,9H2,1-3H3