2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(3-pyridylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-5-[2-oxo-2-(3-pyridinylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[2-keto-2-(3-pyridylamino)ethyl]-6-methyl-pyrimidin-4-olate Formula: C19H16FN4O2S- MolecularWeight: 383.419343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)[O-])CC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)F)[O-])CC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C19H17FN4O2S/c1-12-16(9-17(25)23-15-3-2-8-21-10-15)18(26)24-19(22-12)27-11-13-4-6-14(20)7-5-13/h2-8,10H,9,11H2,1H3,(H,23,25)(H,22,24,26)/p-1