(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate CAS Name: 3-(2,3-dimethoxyphenyl)propanoic 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-(2,3-dimethoxyphenyl)propanoate Traditional Name: 3-(2,3-dimethoxyphenyl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O4/c1-28-16-10-6-7-14(19(16)29-2)11-12-18(27)30-13-17-24-20(22)26-21(25-17)23-15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3,(H3,22,23,24,25,26)