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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)acrylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O3S/c1-20-18-26(31-28(29-20)35-2)30-23-11-15-25(16-12-23)34-27(32)17-10-21-8-13-24(14-9-21)33-19-22-6-4-3-5-7-22/h3-18H,19H2,1-2H3,(H,29,30,31)/b17-10+