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

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione Openeye Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(methylamino)xanthine Formula: C17H18N6O2S2 MolecularWeight: 402.49382

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CCSC3=NC4=CC=CC=C4S3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CNC1=NC2=C(N1CCSC3=NC4=CC=CC=C4S3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H18N6O2S2/c1-18-15-20-13-12(14(24)22(3)17(25)21(13)2)23(15)8-9-26-16-19-10-6-4-5-7-11(10)27-16/h4-7H,8-9H2,1-3H3,(H,18,20)