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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic 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 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C21H18FN7O3 MolecularWeight: 435.411123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C4=CC=CC=C4

InChI

InChI=1S/C21H18FN7O3/c1-31-16-11-29(15-5-3-2-4-6-15)28-18(16)19(30)32-12-17-25-20(23)27-21(26-17)24-14-9-7-13(22)8-10-14/h2-11H,12H2,1H3,(H3,23,24,25,26,27)