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

Systemtic Name: 6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(cyclopropylamino)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclopropylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(cyclopropylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(cyclopropylamino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]pyrimidin-4-olate Formula: C16H15FN3O2S- MolecularWeight: 332.372603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C16H16FN3O2S/c17-13-4-2-1-3-10(13)9-23-16-19-12(8-15(22)20-16)7-14(21)18-11-5-6-11/h1-4,8,11H,5-7,9H2,(H,18,21)(H,19,20,22)/p-1