3-methyl-7-(2-methylprop-2-enyl)-8-octylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-octylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-octylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(octylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-octylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(octylthio)xanthine Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H28N4O2S/c1-5-6-7-8-9-10-11-25-18-19-15-14(22(18)12-13(2)3)16(23)20-17(24)21(15)4/h2,5-12H2,1,3-4H3,(H,20,23,24)