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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic 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-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H18N6O3 MolecularWeight: 402.40602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H18N6O3/c1-12-6-2-4-8-15(12)24-21-26-17(25-20(22)27-21)11-30-19(29)14-10-18(28)23-16-9-5-3-7-13(14)16/h2-10H,11H2,1H3,(H,23,28)(H3,22,24,25,26,27)