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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate CAS Name: (E)-3-(4-tert-butylphenyl)-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-tert-butylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-tert-butylphenyl)acrylic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c1-17-15-22(28-24(26-17)31-5)27-20-7-6-8-21(16-20)30-23(29)14-11-18-9-12-19(13-10-18)25(2,3)4/h6-16H,1-5H3,(H,26,27,28)/b14-11+