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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-chloranylpyridine-4-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C17H15ClN6O2 MolecularWeight: 370.793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C17H15ClN6O2/c1-10-4-2-3-5-12(10)21-17-23-14(22-16(19)24-17)9-26-15(25)11-6-7-20-13(18)8-11/h2-8H,9H2,1H3,(H3,19,21,22,23,24)