(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic 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 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H21N5O4/c1-2-29-12-16-15-10-6-7-11-17(15)31-19(16)20(28)30-13-18-25-21(23)27-22(26-18)24-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H3,23,24,25,26,27)