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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: (4-amino-6-anilino-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-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-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-anilino-s-triazin-2-yl)methyl ester Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H18N6O2/c23-21-26-19(27-22(28-21)25-16-7-2-1-3-8-16)14-30-20(29)13-12-17-11-10-15-6-4-5-9-18(15)24-17/h1-13H,14H2,(H3,23,25,26,27,28)/b13-12+