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

Systemtic Name: 8-[(2R)-3-chloranyl-2-oxidanyl-propyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2R)-3-chloro-2-hydroxy-propyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(2R)-3-chloro-2-hydroxypropyl]thio]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2R)-3-chloro-2-hydroxypropyl]sulfanyl-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[[(2R)-3-chloro-2-hydroxy-propyl]thio]-7-hexyl-3-methyl-xanthine Formula: C15H23ClN4O3S MolecularWeight: 374.88612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN4O3S/c1-3-4-5-6-7-20-11-12(19(2)14(23)18-13(11)22)17-15(20)24-9-10(21)8-16/h10,21H,3-9H2,1-2H3,(H,18,22,23)/t10-/m0/s1