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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-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 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O2S/c1-3-12-7-4-5-9-14(12)22-19-24-15(23-18(20)25-19)11-27-17(26)13-8-6-10-21-16(13)28-2/h4-10H,3,11H2,1-2H3,(H3,20,22,23,24,25)