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

Systemtic Name: 8-(2-bromoethylsulfanyl)-7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-bromoethylsulfanyl)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-bromoethylthio)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-bromoethylsulfanyl)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-bromoethylthio)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C12H14BrClN4O2S MolecularWeight: 393.68716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1SCCBr)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1SCCBr)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C12H14BrClN4O2S/c1-7(14)3-5-18-8-9(15-12(18)21-6-4-13)17(2)11(20)16-10(8)19/h3H,4-6H2,1-2H3,(H,16,19,20)/b7-3-