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7-butyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione

7-butyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name:7-butyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione
Openeye Name:7-butyl-8-heptylsulfanyl-3-methyl-purine-2,6-dione
CAS Name:7-butyl-8-(heptylthio)-3-methylpurine-2,6-dione
IUPAC Name:7-butyl-8-heptylsulfanyl-3-methylpurine-2,6-dione
Traditional Name:7-butyl-8-(heptylthio)-3-methyl-xanthine
Formula: C17H28N4O2S
MolecularWeight: 352.49482
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CCCC)C(=O)NC(=O)N2C


InChI

InChI=1S/C17H28N4O2S/c1-4-6-8-9-10-12-24-17-18-14-13(21(17)11-7-5-2)15(22)19-16(23)20(14)3/h4-12H2,1-3H3,(H,19,22,23)


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