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

Systemtic Name: 8-butylsulfanyl-7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-(butylthio)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C14H19ClN4O2S MolecularWeight: 342.84426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H19ClN4O2S/c1-4-5-8-22-14-16-11-10(19(14)7-6-9(2)15)12(20)17-13(21)18(11)3/h6H,4-5,7-8H2,1-3H3,(H,17,20,21)/b9-6-