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

Systemtic Name: 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethoxy]benzonitrile CAS Name: 3-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethoxy]benzonitrile IUPAC Name: 3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy]benzonitrile Traditional Name: 3-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethoxy]benzonitrile Formula: C16H15N5O3 MolecularWeight: 325.322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H15N5O3/c1-19-14-13(15(22)20(2)16(19)23)21(10-18-14)6-7-24-12-5-3-4-11(8-12)9-17/h3-5,8,10H,6-7H2,1-2H3