[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-15-13-21(26-23(24-15)31-4)25-17-6-8-18(9-7-17)30-22(27)12-5-16-14-19(28-2)10-11-20(16)29-3/h5-14H,1-4H3,(H,24,25,26)/b12-5+