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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-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-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H18ClN7O2 MolecularWeight: 435.86632

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN7O2/c1-13-17(18(22)29(28-13)15-10-6-3-7-11-15)19(30)31-12-16-25-20(23)27-21(26-16)24-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H3,23,24,25,26,27)