8-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2S)-2,3-dihydroxypropyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(2S)-2,3-dihydroxypropyl]thio]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2S)-2,3-dihydroxypropyl]sulfanyl-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[[(2S)-2,3-dihydroxypropyl]thio]-7-hexyl-3-methyl-xanthine Formula: C15H24N4O4S MolecularWeight: 356.44046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(CO)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SC[C@H](CO)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N4O4S/c1-3-4-5-6-7-19-11-12(18(2)14(23)17-13(11)22)16-15(19)24-9-10(21)8-20/h10,20-21H,3-9H2,1-2H3,(H,17,22,23)/t10-/m0/s1