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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-[(2-fluorophenyl)methyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(2-fluorobenzyl)thieno[3,2-d]pyrimidin-4-one Formula: C21H15FN4OS2 MolecularWeight: 422.498403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4)F

InChI

InChI=1S/C21H15FN4OS2/c22-14-6-2-1-5-13(14)11-26-20(27)19-17(9-10-28-19)25-21(26)29-12-18-23-15-7-3-4-8-16(15)24-18/h1-10H,11-12H2,(H,23,24)