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

Systemtic Name: 8-heptylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-heptylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(heptylthio)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(heptylthio)-3-methyl-xanthine Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H30N4O2S/c1-4-6-8-9-11-13-25-18-19-15-14(22(18)12-10-7-5-2)16(23)20-17(24)21(15)3/h4-13H2,1-3H3,(H,20,23,24)