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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-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-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H16N6O2 MolecularWeight: 372.38004

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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(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O2/c21-12-15-8-6-14(7-9-15)10-11-18(27)28-13-17-24-19(22)26-20(25-17)23-16-4-2-1-3-5-16/h1-11H,13H2,(H3,22,23,24,25,26)/b11-10+