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

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-(dimethylamino)-1,3-dimethyl-xanthine Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O2S2/c1-21(2)16-20-14-13(15(25)23(4)18(26)22(14)3)24(16)9-10-27-17-19-11-7-5-6-8-12(11)28-17/h5-8H,9-10H2,1-4H3