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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC(=C3)C#N

InChI

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