6-[7-methyl-2,6-bis(oxidanylidene)purin-3-yl]hexanenitrile

Systemtic Name: 6-[7-methyl-2,6-bis(oxidanylidene)purin-3-yl]hexanenitrile Openeye Name: 6-(7-methyl-2,6-dioxo-purin-3-yl)hexanenitrile CAS Name: 6-(7-methyl-2,6-dioxo-3-purinyl)hexanenitrile IUPAC Name: 6-(7-methyl-2,6-dioxopurin-3-yl)hexanenitrile Traditional Name: 6-(2,6-diketo-7-methyl-purin-3-yl)hexanenitrile Formula: C12H15N5O2 MolecularWeight: 261.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)NC(=O)N2CCCCCC#N

Isomeric SMILES

CN1C=NC2=C1C(=O)NC(=O)N2CCCCCC#N

InChI

InChI=1S/C12H15N5O2/c1-16-8-14-10-9(16)11(18)15-12(19)17(10)7-5-3-2-4-6-13/h8H,2-5,7H2,1H3,(H,15,18,19)