7-heptyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 7-heptyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-heptyl-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-heptyl-8-(isoamylthio)-3-methyl-xanthine Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H30N4O2S/c1-5-6-7-8-9-11-22-14-15(21(4)17(24)20-16(14)23)19-18(22)25-12-10-13(2)3/h13H,5-12H2,1-4H3,(H,20,23,24)