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

Systemtic Name: 8-hexylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-hexylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(hexylthio)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-hexylsulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(hexylthio)-7-isopropyl-3-methyl-xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H24N4O2S/c1-5-6-7-8-9-22-15-16-12-11(19(15)10(2)3)13(20)17-14(21)18(12)4/h10H,5-9H2,1-4H3,(H,17,20,21)