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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl benzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C17H14FN5O2 MolecularWeight: 339.323763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C17H14FN5O2/c18-12-6-8-13(9-7-12)20-17-22-14(21-16(19)23-17)10-25-15(24)11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,20,21,22,23)