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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methylquinoline-4-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-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 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H20N6O2/c1-13-7-9-15(10-8-13)25-22-27-19(26-21(23)28-22)12-30-20(29)17-11-14(2)24-18-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3,(H3,23,25,26,27,28)