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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic 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 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H17F2N5O4 MolecularWeight: 417.366186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC(F)F

InChI

InChI=1S/C19H17F2N5O4/c1-28-14-9-11(7-8-13(14)30-17(20)21)16(27)29-10-15-24-18(22)26-19(25-15)23-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H3,22,23,24,25,26)