(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H20FN7O2 MolecularWeight: 433.438303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H20FN7O2/c1-13-19(14(2)30(29-13)17-10-8-15(23)9-11-17)20(31)32-12-18-26-21(24)28-22(27-18)25-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H3,24,25,26,27,28)