7-[(E)-3-chloranylbut-2-enyl]-8-dodecylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-dodecylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-dodecylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(dodecylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(laurylthio)-3-methyl-xanthine Formula: C22H35ClN4O2S MolecularWeight: 455.0569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1C/C=C(\C)/Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H35ClN4O2S/c1-4-5-6-7-8-9-10-11-12-13-16-30-22-24-19-18(27(22)15-14-17(2)23)20(28)25-21(29)26(19)3/h14H,4-13,15-16H2,1-3H3,(H,25,28,29)/b17-14+