2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-pyridylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-oxo-2-(3-pyridinylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-(3-pyridylamino)ethyl]pyrimidin-4-olate Formula: C18H14FN4O2S- MolecularWeight: 369.392763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CN=CC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CN=CC=C3)F

InChI

InChI=1S/C18H15FN4O2S/c19-15-6-2-1-4-12(15)11-26-18-22-14(9-17(25)23-18)8-16(24)21-13-5-3-7-20-10-13/h1-7,9-10H,8,11H2,(H,21,24)(H,22,23,25)/p-1