5-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(cyclopropylamino)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(cyclopropylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(cyclopropylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(cyclopropylamino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C17H17FN3O2S- MolecularWeight: 346.399183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3CC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NC3CC3

InChI

InChI=1S/C17H18FN3O2S/c1-10-13(8-15(22)20-12-6-7-12)16(23)21-17(19-10)24-9-11-4-2-3-5-14(11)18/h2-5,12H,6-9H2,1H3,(H,20,22)(H,19,21,23)/p-1