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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-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 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H17ClFN7O2 MolecularWeight: 453.856783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17ClFN7O2/c1-12-17(18(22)30(29-12)15-9-7-13(23)8-10-15)19(31)32-11-16-26-20(24)28-21(27-16)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H3,24,25,26,27,28)