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

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3-methyl-8-(methylthio)xanthine Formula: C16H15N5O2S3 MolecularWeight: 405.5176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2S3/c1-20-12-11(13(22)19-14(20)23)21(15(18-12)24-2)7-8-25-16-17-9-5-3-4-6-10(9)26-16/h3-6H,7-8H2,1-2H3,(H,19,22,23)