7-butyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-(2-hydroxyethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N4O3S/c1-3-4-5-16-8-9(13-12(16)20-7-6-17)15(2)11(19)14-10(8)18/h17H,3-7H2,1-2H3,(H,14,18,19)