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

Systemtic Name: 2-[[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(3,7-dimethyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile CAS Name: 2-[(3,7-dimethyl-2,6-dioxo-1-purinyl)methyl]benzonitrile IUPAC Name: 2-[(3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]benzonitrile Traditional Name: 2-[(2,6-diketo-3,7-dimethyl-purin-1-yl)methyl]benzonitrile Formula: C15H13N5O2 MolecularWeight: 295.29602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3C#N

InChI

InChI=1S/C15H13N5O2/c1-18-9-17-13-12(18)14(21)20(15(22)19(13)2)8-11-6-4-3-5-10(11)7-16/h3-6,9H,8H2,1-2H3