7-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[(6-chloro-1H-benzimidazol-2-yl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C16H15ClN6O2S MolecularWeight: 390.8473

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C16H15ClN6O2S/c1-21-13-12(14(24)22(2)16(21)25)23(8-18-13)5-6-26-15-19-10-4-3-9(17)7-11(10)20-15/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)