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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-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 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H19N7O3/c1-30-16-12-28(15-10-6-3-7-11-15)27-18(16)19(29)31-13-17-24-20(22)26-21(25-17)23-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H3,22,23,24,25,26)