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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-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 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C16H17N7O2 MolecularWeight: 339.35188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O2/c1-9-13(10(2)23(22-9)11-6-4-3-5-7-11)14(24)25-8-12-19-15(17)21-16(18)20-12/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)