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

Systemtic Name: 7-heptyl-3-methyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-heptyl-3-methyl-xanthine Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCCCCC)N(C(=O)NC2=O)C

InChI

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