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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2S)-2-benzamidopropanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic 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 (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N6O3/c1-3-15-9-7-8-12-17(15)25-22-27-18(26-21(23)28-22)13-31-20(30)14(2)24-19(29)16-10-5-4-6-11-16/h4-12,14H,3,13H2,1-2H3,(H,24,29)(H3,23,25,26,27,28)/t14-/m0/s1