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

Systemtic Name: 8-decylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-decylsulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(decylthio)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(decylthio)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C19H32N4O3S MolecularWeight: 396.54738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H32N4O3S/c1-4-5-6-7-8-9-10-11-14-27-19-20-16-15(23(19)12-13-26-3)17(24)21-18(25)22(16)2/h4-14H2,1-3H3,(H,21,24,25)