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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)SC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H19ClN4O2S/c1-5-9(3)22-14-16-11-10(19(14)7-6-8(2)15)12(20)17-13(21)18(11)4/h6,9H,5,7H2,1-4H3,(H,17,20,21)/b8-6-