[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic 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-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C20H16FN7O2 MolecularWeight: 405.385143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H16FN7O2/c21-13-6-8-14(9-7-13)23-20-25-17(24-19(22)26-20)11-30-18(29)16-10-15(27-28-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,27,28)(H3,22,23,24,25,26)