3-methyl-1-(5-methylhexyl)-5-oxidanyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-methylhexyl)-5-oxidanyl-purine-2,6-dione Openeye Name: 5-hydroxy-3-methyl-1-(5-methylhexyl)purine-2,6-dione CAS Name: 5-hydroxy-3-methyl-1-(5-methylhexyl)purine-2,6-dione IUPAC Name: 5-hydroxy-3-methyl-1-(5-methylhexyl)purine-2,6-dione Traditional Name: 5-hydroxy-3-methyl-1-(5-methylhexyl)xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN1C(=O)C2(C(=NC=N2)N(C1=O)C)O

Isomeric SMILES

CC(C)CCCCN1C(=O)C2(C(=NC=N2)N(C1=O)C)O

InChI

InChI=1S/C13H20N4O3/c1-9(2)6-4-5-7-17-11(18)13(20)10(14-8-15-13)16(3)12(17)19/h8-9,20H,4-7H2,1-3H3