8-hexylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-hexylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-hexylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(hexylthio)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-hexylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(hexylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C15H24N4O3S MolecularWeight: 340.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H24N4O3S/c1-4-5-6-7-10-23-15-16-12-11(19(15)8-9-22-3)13(20)17-14(21)18(12)2/h4-10H2,1-3H3,(H,17,20,21)