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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-pyridylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-methyl-5-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-5-[2-keto-2-(4-pyridylmethylamino)ethyl]-6-methyl-pyrimidin-4-olate Formula: C20H18FN4O2S- MolecularWeight: 397.445923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2F)[O-])CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C20H19FN4O2S/c1-13-16(10-18(26)23-11-14-6-8-22-9-7-14)19(27)25-20(24-13)28-12-15-4-2-3-5-17(15)21/h2-9H,10-12H2,1H3,(H,23,26)(H,24,25,27)/p-1