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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-(isopropylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(4-fluorophenyl)methylthio]-6-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(4-fluorobenzyl)thio]-6-[2-(isopropylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C16H17FN3O2S- MolecularWeight: 334.388483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)F)[O-]

Isomeric SMILES

CC(C)NC(=O)CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)F)[O-]

InChI

InChI=1S/C16H18FN3O2S/c1-10(2)18-14(21)7-13-8-15(22)20-16(19-13)23-9-11-3-5-12(17)6-4-11/h3-6,8,10H,7,9H2,1-2H3,(H,18,21)(H,19,20,22)/p-1