7-[(2R)-2,3-bis(oxidanyl)propyl]-1-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-2,3-bis(oxidanyl)propyl]-1-hexyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-2,3-dihydroxypropyl]-1-hexyl-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2,3-dihydroxypropyl]-1-hexyl-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2,3-dihydroxypropyl]-1-hexyl-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2,3-dihydroxypropyl]-1-hexyl-3-methyl-xanthine Formula: C15H24N4O4 MolecularWeight: 324.37546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2CC(CO)O)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2C[C@H](CO)O)N(C1=O)C

InChI

InChI=1S/C15H24N4O4/c1-3-4-5-6-7-19-14(22)12-13(17(2)15(19)23)16-10-18(12)8-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3/t11-/m1/s1