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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-ethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-ethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-ethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-ethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4OS2/c1-2-15-12-16-20(29-15)25-22(26(21(16)27)14-8-4-3-5-9-14)28-13-19-23-17-10-6-7-11-18(17)24-19/h3-12H,2,13H2,1H3,(H,23,24)