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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-methyl-2-oxidanyl-benzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-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-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C18H16FN5O3 MolecularWeight: 369.349743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C18H16FN5O3/c1-10-3-2-4-13(15(10)25)16(26)27-9-14-22-17(20)24-18(23-14)21-12-7-5-11(19)6-8-12/h2-8,25H,9H2,1H3,(H3,20,21,22,23,24)