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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-propoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-propoxyphenyl)-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-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-propoxyphenyl)acrylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C)SC

InChI

InChI=1S/C24H25N3O3S/c1-4-15-29-20-10-5-18(6-11-20)7-14-23(28)30-21-12-8-19(9-13-21)26-22-16-17(2)25-24(27-22)31-3/h5-14,16H,4,15H2,1-3H3,(H,25,26,27)/b14-7+