1,3-dimethyl-8-(4-oxidanylidenepentyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-oxidanylidenepentyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-oxopentyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-oxopentyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-oxopentyl)-7H-purine-2,6-dione Traditional Name: 8-(4-ketopentyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C12H16N4O3 MolecularWeight: 264.28044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)CCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H16N4O3/c1-7(17)5-4-6-8-13-9-10(14-8)15(2)12(19)16(3)11(9)18/h4-6H2,1-3H3,(H,13,14)