7-hexyl-3-methyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-(3-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-hexyl-8-(3-hydroxypropylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-8-(3-hydroxypropylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-hexyl-8-(3-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-hexyl-8-(3-hydroxypropylthio)-3-methyl-xanthine Formula: C15H24N4O3S MolecularWeight: 340.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N4O3S/c1-3-4-5-6-8-19-11-12(16-15(19)23-10-7-9-20)18(2)14(22)17-13(11)21/h20H,3-10H2,1-2H3,(H,17,21,22)