3-methyl-8-octylsulfanyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-octylsulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(octylthio)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-octylsulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-(octylthio)xanthine Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H28N4O2S/c1-5-6-7-8-9-10-11-24-17-18-14-13(21(17)12(2)3)15(22)19-16(23)20(14)4/h12H,5-11H2,1-4H3,(H,19,22,23)