7-(methoxymethyl)-3-methyl-8-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 7-(methoxymethyl)-3-methyl-8-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 7-(methoxymethyl)-3-methyl-8-(5-oxohexyl)purine-2,6-dione CAS Name: 7-(methoxymethyl)-3-methyl-8-(5-oxohexyl)purine-2,6-dione IUPAC Name: 7-(methoxymethyl)-3-methyl-8-(5-oxohexyl)purine-2,6-dione Traditional Name: 8-(5-ketohexyl)-7-(methoxymethyl)-3-methyl-xanthine Formula: C14H20N4O4 MolecularWeight: 308.333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC1=NC2=C(N1COC)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CCCCC1=NC2=C(N1COC)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O4/c1-9(19)6-4-5-7-10-15-12-11(18(10)8-22-3)13(20)16-14(21)17(12)2/h4-8H2,1-3H3,(H,16,20,21)