(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-bromanyl-2-fluoranyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H13BrFN5O2 MolecularWeight: 418.219823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)Br)F

InChI

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