8-(2-bromoethylsulfanyl)-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-(2-bromoethylsulfanyl)-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-(2-bromoethylsulfanyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(2-bromoethylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-(2-bromoethylsulfanyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(2-bromoethylthio)-3-methyl-7-propyl-xanthine Formula: C11H15BrN4O2S MolecularWeight: 347.2314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCCBr)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCBr)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15BrN4O2S/c1-3-5-16-7-8(13-11(16)19-6-4-12)15(2)10(18)14-9(7)17/h3-6H2,1-2H3,(H,14,17,18)