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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3,5-dimethoxybenzoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic 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 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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