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

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-bromo-1,3-dimethyl-xanthine Formula: C16H14BrN5O2S2 MolecularWeight: 452.34866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H14BrN5O2S2/c1-20-12-11(13(23)21(2)16(20)24)22(14(17)19-12)7-8-25-15-18-9-5-3-4-6-10(9)26-15/h3-6H,7-8H2,1-2H3