1,3-dimethyl-7-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione Traditional Name: 7-(5-ketohexyl)-1,3-dimethyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-8-14-11-10(17)12(19)16(3)13(20)15(11)2/h8H,4-7H2,1-3H3