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

Systemtic Name: 7-decyl-3-methyl-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-decyl-8-(2-hydroxypropylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-decyl-8-(2-hydroxypropylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-decyl-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-decyl-8-(2-hydroxypropylthio)-3-methyl-xanthine Formula: C19H32N4O3S MolecularWeight: 396.54738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCC(C)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H32N4O3S/c1-4-5-6-7-8-9-10-11-12-23-15-16(20-19(23)27-13-14(2)24)22(3)18(26)21-17(15)25/h14,24H,4-13H2,1-3H3,(H,21,25,26)