2-[3,7-diethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanenitrile

Systemtic Name: 2-[3,7-diethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanenitrile Openeye Name: 2-(3,7-diethyl-2,6-dioxo-purin-1-yl)acetonitrile CAS Name: 2-(3,7-diethyl-2,6-dioxo-1-purinyl)acetonitrile IUPAC Name: 2-(3,7-diethyl-2,6-dioxopurin-1-yl)acetonitrile Traditional Name: 2-(3,7-diethyl-2,6-diketo-purin-1-yl)acetonitrile Formula: C11H13N5O2 MolecularWeight: 247.25322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC#N

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC#N

InChI

InChI=1S/C11H13N5O2/c1-3-14-7-13-9-8(14)10(17)16(6-5-12)11(18)15(9)4-2/h7H,3-4,6H2,1-2H3