8-heptylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

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