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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C(=CC3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H20N4O2/c1-19-29-25(21-10-6-3-7-11-21)17-26(30-19)31-23-12-14-24(15-13-23)33-27(32)22(18-28)16-20-8-4-2-5-9-20/h2-17H,1H3,(H,29,30,31)/b22-16+