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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(2-thienylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-(2-thenylamino)ethyl]pyrimidin-4-olate Formula: C18H15FN3O2S2- MolecularWeight: 388.459003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CS3)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CS3)F

InChI

InChI=1S/C18H16FN3O2S2/c19-15-6-2-1-4-12(15)11-26-18-21-13(9-17(24)22-18)8-16(23)20-10-14-5-3-7-25-14/h1-7,9H,8,10-11H2,(H,20,23)(H,21,22,24)/p-1