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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-methyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H16N4OS2/c1-13-11-15-19(28-13)24-21(25(20(15)26)14-7-3-2-4-8-14)27-12-18-22-16-9-5-6-10-17(16)23-18/h2-11H,12H2,1H3,(H,22,23)