[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C21H18FN7O2S MolecularWeight: 451.476723

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N)C#N

InChI

InChI=1S/C21H18FN7O2S/c1-32-18-15(9-23)14(8-16(26-18)11-2-3-11)19(30)31-10-17-27-20(24)29-21(28-17)25-13-6-4-12(22)5-7-13/h4-8,11H,2-3,10H2,1H3,(H3,24,25,27,28,29)