[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-ethoxy-4-methoxy-benzoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N)OC

InChI

InChI=1S/C21H23N5O4/c1-4-29-17-11-14(7-10-16(17)28-3)19(27)30-12-18-24-20(22)26-21(25-18)23-15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H3,22,23,24,25,26)