[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl pyridine-4-carboxylate

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl pyridine-4-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2/c1-2-12-5-3-4-6-14(12)21-18-23-15(22-17(19)24-18)11-26-16(25)13-7-9-20-10-8-13/h3-10H,2,11H2,1H3,(H3,19,21,22,23,24)