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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,6-bis(fluoranyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic 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 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H13F2N5O2 MolecularWeight: 357.314226

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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=C3F)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H13F2N5O2/c18-11-7-4-8-12(19)14(11)15(25)26-9-13-22-16(20)24-17(23-13)21-10-5-2-1-3-6-10/h1-8H,9H2,(H3,20,21,22,23,24)