5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C23H22FN3O2S MolecularWeight: 423.503083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22FN3O2S/c1-15-20(12-21(28)27-11-10-17-4-2-3-5-18(17)13-27)22(29)26-23(25-15)30-14-16-6-8-19(24)9-7-16/h2-9H,10-14H2,1H3,(H,25,26,29)