(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (4-amino-6-anilino-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-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-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H18N6O2 MolecularWeight: 398.41732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O2/c23-21-26-18(27-22(28-21)25-17-9-2-1-3-10-17)14-30-19(29)12-11-16-7-4-6-15-8-5-13-24-20(15)16/h1-13H,14H2,(H3,23,25,26,27,28)/b12-11+