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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-15-7-9-17(10-8-15)11-12-21(26)27-19-6-4-5-18(14-19)24-20-13-16(2)23-22(25-20)28-3/h4-14H,1-3H3,(H,23,24,25)/b12-11+