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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-pyridylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-(3-pyridylmethylamino)ethyl]pyrimidin-4-olate Formula: C19H16FN4O2S- MolecularWeight: 383.419343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CN=CC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CN=CC=C3)F

InChI

InChI=1S/C19H17FN4O2S/c20-16-6-2-1-5-14(16)12-27-19-23-15(9-18(26)24-19)8-17(25)22-11-13-4-3-7-21-10-13/h1-7,9-10H,8,11-12H2,(H,22,25)(H,23,24,26)/p-1