[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(trifluoromethyl)phenyl]acrylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H12F3N5O2 MolecularWeight: 339.27259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC2=NC(=NC(=N2)N)N)C(F)(F)F

InChI

InChI=1S/C14H12F3N5O2/c15-14(16,17)9-4-1-8(2-5-9)3-6-11(23)24-7-10-20-12(18)22-13(19)21-10/h1-6H,7H2,(H4,18,19,20,21,22)/b6-3+