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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-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-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H14BrN5O3 MolecularWeight: 416.22876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C17H14BrN5O3/c18-13-8-6-12(26-13)7-9-15(24)25-10-14-21-16(19)23-17(22-14)20-11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,20,21,22,23)/b9-7+