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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4,6-diamino-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 (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-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 (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C15H14ClN7O2 MolecularWeight: 359.77036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN7O2/c1-8-11(12(16)23(22-8)9-5-3-2-4-6-9)13(24)25-7-10-19-14(17)21-15(18)20-10/h2-6H,7H2,1H3,(H4,17,18,19,20,21)