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

Systemtic Name: 3-methyl-8-(2-oxidanylpropylsulfanyl)-7-propyl-purine-2,6-dione Openeye Name: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(2-hydroxypropylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(2-hydroxypropylthio)-3-methyl-7-propyl-xanthine Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N4O3S/c1-4-5-16-8-9(13-12(16)20-6-7(2)17)15(3)11(19)14-10(8)18/h7,17H,4-6H2,1-3H3,(H,14,18,19)