1-(5-methyl-5-oxidanyl-hexyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(5-methyl-5-oxidanyl-hexyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(5-hydroxy-5-methyl-hexyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(5-hydroxy-5-methyl-hexyl)-7H-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(NC1=O)N=CN2)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(NC1=O)N=CN2)O

InChI

InChI=1S/C12H18N4O3/c1-12(2,19)5-3-4-6-16-10(17)8-9(14-7-13-8)15-11(16)18/h7,19H,3-6H2,1-2H3,(H,13,14)(H,15,18)