8-ethylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-heptyl-3-methyl-xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N4O2S/c1-4-6-7-8-9-10-19-11-12(16-15(19)22-5-2)18(3)14(21)17-13(11)20/h4-10H2,1-3H3,(H,17,20,21)