6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-(2-indolin-1-yl-2-oxo-ethyl)-1H-pyrimidin-4-one CAS Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-6-(2-indolin-1-yl-2-keto-ethyl)-1H-pyrimidin-4-one Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4F

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4F

InChI

InChI=1S/C21H18FN3O2S/c22-17-7-3-1-6-15(17)13-28-21-23-16(11-19(26)24-21)12-20(27)25-10-9-14-5-2-4-8-18(14)25/h1-8,11H,9-10,12-13H2,(H,23,24,26)