butyl 4-[[4,6-bis(2-methylpyrazol-3-yl)-1,3,5-triazin-2-yl]amino]benzoate

Systemtic Name: butyl 4-[[4,6-bis(2-methylpyrazol-3-yl)-1,3,5-triazin-2-yl]amino]benzoate Openeye Name: butyl 4-[[4,6-bis(2-methylpyrazol-3-yl)-1,3,5-triazin-2-yl]amino]benzoate CAS Name: 4-[[4,6-bis(2-methyl-3-pyrazolyl)-1,3,5-triazin-2-yl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4,6-bis(2-methylpyrazol-3-yl)-1,3,5-triazin-2-yl]amino]benzoate Traditional Name: 4-[[4,6-bis(2-methylpyrazol-3-yl)-s-triazin-2-yl]amino]benzoic acid butyl ester Formula: C22H24N8O2 MolecularWeight: 432.47836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=CC=NN3C)C4=CC=NN4C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=CC=NN3C)C4=CC=NN4C

InChI

InChI=1S/C22H24N8O2/c1-4-5-14-32-21(31)15-6-8-16(9-7-15)25-22-27-19(17-10-12-23-29(17)2)26-20(28-22)18-11-13-24-30(18)3/h6-13H,4-5,14H2,1-3H3,(H,25,26,27,28)