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

Systemtic Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C23H21FN3O2S- MolecularWeight: 422.495143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)N3CCC4=CC=CC=C4C3

InChI

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