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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl quinoxaline-2-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic 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 quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H17N7O2/c1-12-6-2-3-7-13(12)24-20-26-17(25-19(21)27-20)11-29-18(28)16-10-22-14-8-4-5-9-15(14)23-16/h2-10H,11H2,1H3,(H3,21,24,25,26,27)