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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-methoxy-2-oxidanyl-benzoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C20H21N5O4/c1-3-12-7-4-5-9-14(12)22-20-24-16(23-19(21)25-20)11-29-18(27)13-8-6-10-15(28-2)17(13)26/h4-10,26H,3,11H2,1-2H3,(H3,21,22,23,24,25)