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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-acetamido-3-methyl-benzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic 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 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C20H19FN6O3 MolecularWeight: 410.401663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C20H19FN6O3/c1-11-4-3-5-15(17(11)23-12(2)28)18(29)30-10-16-25-19(22)27-20(26-16)24-14-8-6-13(21)7-9-14/h3-9H,10H2,1-2H3,(H,23,28)(H3,22,24,25,26,27)