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

Systemtic Name: 8-hexylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-hexylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(hexylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-hexylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(hexylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H24N4O2S/c1-5-6-7-8-9-23-16-17-13-12(20(16)10-11(2)3)14(21)18-15(22)19(13)4/h2,5-10H2,1,3-4H3,(H,18,21,22)