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

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-octyl-purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-octylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-octylpurine-2,6-dione Traditional Name: 8-(isoamylthio)-3-methyl-7-octyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H32N4O2S/c1-5-6-7-8-9-10-12-23-15-16(22(4)18(25)21-17(15)24)20-19(23)26-13-11-14(2)3/h14H,5-13H2,1-4H3,(H,21,24,25)