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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C18H15BrFN5O3 MolecularWeight: 448.245803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)F)Br

InChI

InChI=1S/C18H15BrFN5O3/c1-27-14-5-3-2-4-13(14)22-18-24-15(23-17(21)25-18)9-28-16(26)11-8-10(20)6-7-12(11)19/h2-8H,9H2,1H3,(H3,21,22,23,24,25)