2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chlorophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chlorophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chlorophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-chlorophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-chlorophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17ClN4OS2 MolecularWeight: 452.97958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H17ClN4OS2/c1-2-15-11-16-20(30-15)26-22(27(21(16)28)14-9-7-13(23)8-10-14)29-12-19-24-17-5-3-4-6-18(17)25-19/h3-11H,2,12H2,1H3,(H,24,25)