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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-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-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H16BrN5O2 MolecularWeight: 426.26664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5O2/c20-14-6-4-5-13(11-14)9-10-17(26)27-12-16-23-18(21)25-19(24-16)22-15-7-2-1-3-8-15/h1-11H,12H2,(H3,21,22,23,24,25)/b10-9+