(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C18H15FN4O3S MolecularWeight: 386.400103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

Isomeric SMILES

CSC1=NC(=O)C=C(N1)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C18H15FN4O3S/c1-27-18-21-11(9-15(24)23-18)10-26-17(25)12-5-4-8-20-16(12)22-14-7-3-2-6-13(14)19/h2-9H,10H2,1H3,(H,20,22)(H,21,23,24)