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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylphenyl)-2-propenoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-phenylphenyl)acrylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C27H23N3O2S MolecularWeight: 453.55542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O2S/c1-19-18-25(30-27(28-19)33-2)29-23-13-15-24(16-14-23)32-26(31)17-10-20-8-11-22(12-9-20)21-6-4-3-5-7-21/h3-18H,1-2H3,(H,28,29,30)/b17-10+