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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-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 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN6O2/c1-10-4-2-3-5-13(10)21-17-23-14(22-16(19)24-17)9-26-15(25)11-6-12(18)8-20-7-11/h2-8H,9H2,1H3,(H3,19,21,22,23,24)