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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]benzenecarbonitrile Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzonitrile CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzonitrile IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzonitrile Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]benzonitrile Formula: C14H12N6O2 MolecularWeight: 296.28408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3C#N

InChI

InChI=1S/C14H12N6O2/c1-19-11-10(12(21)20(2)14(19)22)17-13(18-11)16-9-6-4-3-5-8(9)7-15/h3-6H,1-2H3,(H2,16,17,18)