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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl quinoxaline-2-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic 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 quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C21H19N7O2 MolecularWeight: 401.42126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H19N7O2/c1-2-13-7-3-4-8-14(13)25-21-27-18(26-20(22)28-21)12-30-19(29)17-11-23-15-9-5-6-10-16(15)24-17/h3-11H,2,12H2,1H3,(H3,22,25,26,27,28)