[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic 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 (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H20N6O2/c1-15-7-10-18(11-8-15)26-23-28-19(27-22(24)29-23)14-31-20(30)12-9-17-5-2-4-16-6-3-13-25-21(16)17/h2-13H,14H2,1H3,(H3,24,26,27,28,29)/b12-9+