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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-bromanylbenzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic 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 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C17H13BrFN5O2 MolecularWeight: 418.219823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)Br

InChI

InChI=1S/C17H13BrFN5O2/c18-11-3-1-10(2-4-11)15(25)26-9-14-22-16(20)24-17(23-14)21-13-7-5-12(19)6-8-13/h1-8H,9H2,(H3,20,21,22,23,24)