4-[3,9-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[3,9-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzenecarbonitrile Openeye Name: 4-(3,9-dimethyl-2,6-dioxo-purin-8-yl)benzonitrile CAS Name: 4-(3,9-dimethyl-2,6-dioxo-8-purinyl)benzonitrile IUPAC Name: 4-(3,9-dimethyl-2,6-dioxopurin-8-yl)benzonitrile Traditional Name: 4-(2,6-diketo-3,9-dimethyl-purin-8-yl)benzonitrile Formula: C14H11N5O2 MolecularWeight: 281.26944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC(=O)N2C)N=C1C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)NC(=O)N2C)N=C1C3=CC=C(C=C3)C#N

InChI

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