2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1-ethylbenzimidazol-2-yl)thio]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H17FN4OS2 MolecularWeight: 436.524983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

InChI

InChI=1S/C22H17FN4OS2/c1-2-27-17-6-4-3-5-16(17)24-22(27)30-12-18-25-20(28)19-15(11-29-21(19)26-18)13-7-9-14(23)10-8-13/h3-11H,2,12H2,1H3,(H,25,26,28)