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

Systemtic Name: 8-dodecylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(dodecylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(laurylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H36N4O2S/c1-5-6-7-8-9-10-11-12-13-14-15-29-22-23-19-18(26(22)16-17(2)3)20(27)24-21(28)25(19)4/h2,5-16H2,1,3-4H3,(H,24,27,28)