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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(trifluoromethyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic 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-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H14F3N5O2 MolecularWeight: 389.33127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O2/c19-18(20,21)12-8-6-11(7-9-12)15(27)28-10-14-24-16(22)26-17(25-14)23-13-4-2-1-3-5-13/h1-9H,10H2,(H3,22,23,24,25,26)