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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-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)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H23N3O2/c1-19-8-10-21(11-9-19)12-17-27(31)32-24-15-13-23(14-16-24)30-26-18-25(28-20(2)29-26)22-6-4-3-5-7-22/h3-18H,1-2H3,(H,28,29,30)/b17-12+