(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic 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 (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H15BrFN5O2 MolecularWeight: 444.257103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrFN5O2/c20-13-7-8-15(21)12(10-13)6-9-17(27)28-11-16-24-18(22)26-19(25-16)23-14-4-2-1-3-5-14/h1-10H,11H2,(H3,22,23,24,25,26)/b9-6+