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

Systemtic Name: 8-heptylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-heptylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-(heptylthio)-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-(heptylthio)-7-hexyl-3-methyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H32N4O2S/c1-4-6-8-10-12-14-26-19-20-16-15(17(24)21-18(25)22(16)3)23(19)13-11-9-7-5-2/h4-14H2,1-3H3,(H,21,24,25)