(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic 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-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H19N7O2/c1-14-11-12-23-28(14)17-9-7-15(8-10-17)19(29)30-13-18-25-20(22)27-21(26-18)24-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H3,22,24,25,26,27)