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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl quinoline-2-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N6O2/c1-13-6-9-15(10-7-13)23-21-26-18(25-20(22)27-21)12-29-19(28)17-11-8-14-4-2-3-5-16(14)24-17/h2-11H,12H2,1H3,(H3,22,23,25,26,27)