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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-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-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-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-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H20N6O3/c1-2-13-7-3-5-9-16(13)25-22-27-18(26-21(23)28-22)12-31-20(30)15-11-19(29)24-17-10-6-4-8-14(15)17/h3-11H,2,12H2,1H3,(H,24,29)(H3,23,25,26,27,28)