[4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H16N4O2/c1-15-11-20(24-14-23-15)25-18-7-9-19(10-8-18)27-21(26)17(13-22)12-16-5-3-2-4-6-16/h2-12,14H,1H3,(H,23,24,25)/b17-12+