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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-heptylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(heptylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(heptylthio)-3-methyl-xanthine Formula: C17H25ClN4O2S MolecularWeight: 384.924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1C/C=C(\C)/Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H25ClN4O2S/c1-4-5-6-7-8-11-25-17-19-14-13(22(17)10-9-12(2)18)15(23)20-16(24)21(14)3/h9H,4-8,10-11H2,1-3H3,(H,20,23,24)/b12-9+