2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(2-thienylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-methyl-5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-5-[2-keto-2-(2-thenylamino)ethyl]-6-methyl-pyrimidin-4-olate Formula: C19H17FN3O2S2- MolecularWeight: 402.485583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H18FN3O2S2/c1-12-15(9-17(24)21-10-14-6-4-8-26-14)18(25)23-19(22-12)27-11-13-5-2-3-7-16(13)20/h2-8H,9-11H2,1H3,(H,21,24)(H,22,23,25)/p-1