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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-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-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O2/c1-2-11-6-3-4-8-13(11)22-18-24-14(23-17(20)25-18)10-27-16(26)12-7-5-9-21-15(12)19/h3-9H,2,10H2,1H3,(H3,20,22,23,24,25)