[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic 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 (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N6O2/c1-15-6-2-4-8-18(15)26-23-28-20(27-22(24)29-23)14-31-21(30)13-12-17-11-10-16-7-3-5-9-19(16)25-17/h2-13H,14H2,1H3,(H3,24,26,27,28,29)/b13-12+