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

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(1,3-benzothiazol-2-ylthio)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(1,3-benzothiazol-2-ylthio)propyl]-3,7-dimethyl-xanthine Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H17N5O2S2/c1-20-10-18-14-13(20)15(23)22(17(24)21(14)2)8-5-9-25-16-19-11-6-3-4-7-12(11)26-16/h3-4,6-7,10H,5,8-9H2,1-2H3