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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-acetamidobenzoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic 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-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-3-14-7-4-5-10-17(14)24-21-26-18(25-20(22)27-21)12-30-19(29)15-8-6-9-16(11-15)23-13(2)28/h4-11H,3,12H2,1-2H3,(H,23,28)(H3,22,24,25,26,27)