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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-hexylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-hexylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(hexylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(hexylthio)-3-methyl-xanthine Formula: C16H23ClN4O2S MolecularWeight: 370.89742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCSC1=NC2=C(N1C/C=C(\C)/Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H23ClN4O2S/c1-4-5-6-7-10-24-16-18-13-12(21(16)9-8-11(2)17)14(22)19-15(23)20(13)3/h8H,4-7,9-10H2,1-3H3,(H,19,22,23)/b11-8+