6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[4-(2-fluorophenyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[4-(2-fluorophenyl)piperazino]-1H-pyrimidin-4-one Formula: C22H20FN5OS2 MolecularWeight: 453.555503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20FN5OS2/c23-16-5-1-3-7-18(16)27-9-11-28(12-10-27)21-24-15(13-20(29)26-21)14-30-22-25-17-6-2-4-8-19(17)31-22/h1-8,13H,9-12,14H2,(H,24,26,29)