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

Systemtic Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]-1H-pyrimidin-4-one Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3O2S/c23-18-7-5-15(6-8-18)14-29-22-24-19(11-20(27)25-22)12-21(28)26-10-9-16-3-1-2-4-17(16)13-26/h1-8,11H,9-10,12-14H2,(H,24,25,27)