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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzenecarbonitrile Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzonitrile CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzonitrile IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzonitrile Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)benzonitrile Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O2/c1-18-12-10(13(20)19(2)14(18)21)16-11(17-12)9-5-3-8(7-15)4-6-9/h3-6H,1-2H3,(H,16,17)