(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2R)-2-(4-ethanoylphenoxy)propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2R)-2-(4-ethanoylphenoxy)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2R)-2-(4-acetylphenoxy)propanoate CAS Name: (2R)-2-(4-acetylphenoxy)propanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2R)-2-(4-acetylphenoxy)propanoate Traditional Name: (2R)-2-(4-acetylphenoxy)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H21N5O4/c1-13(27)15-8-10-17(11-9-15)30-14(2)19(28)29-12-18-24-20(22)26-21(25-18)23-16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H3,22,23,24,25,26)/t14-/m1/s1