7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-bromanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-bromanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-bromo-3-methyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-bromo-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-bromo-3-methyl-xanthine Formula: C15H12BrN5O2S2 MolecularWeight: 438.32208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C15H12BrN5O2S2/c1-20-11-10(12(22)19-14(20)23)21(13(16)18-11)6-7-24-15-17-8-4-2-3-5-9(8)25-15/h2-5H,6-7H2,1H3,(H,19,22,23)