[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-acetamido-3-phenyl-propanoate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-acetamido-3-phenyl-propanoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C21H21FN6O3 MolecularWeight: 424.428243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN6O3/c1-13(29)24-17(14-5-3-2-4-6-14)11-19(30)31-12-18-26-20(23)28-21(27-18)25-16-9-7-15(22)8-10-16/h2-10,17H,11-12H2,1H3,(H,24,29)(H3,23,25,26,27,28)