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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [4-amino-6-(dimethylamino)-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-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-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-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H18N6O2/c1-24(2)18-22-15(21-17(19)23-18)11-26-16(25)10-9-13-8-7-12-5-3-4-6-14(12)20-13/h3-10H,11H2,1-2H3,(H2,19,21,22,23)/b10-9+