5-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H15FN4OS2 MolecularWeight: 422.498403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

InChI

InChI=1S/C21H15FN4OS2/c1-11-2-7-15-16(8-11)24-21(23-15)29-10-17-25-19(27)18-14(9-28-20(18)26-17)12-3-5-13(22)6-4-12/h2-9H,10H2,1H3,(H,23,24)(H,25,26,27)