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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-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-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H20ClN7O2 MolecularWeight: 449.8929

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN7O2/c1-14-18(19(23)30(29-14)12-15-8-4-2-5-9-15)20(31)32-13-17-26-21(24)28-22(27-17)25-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H3,24,25,26,27,28)