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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)C

InChI

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