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

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C27H23N3O3S/c1-32-22-13-8-19(9-14-22)10-17-26(31)33-23-15-11-21(12-16-23)28-25-18-24(29-27(30-25)34-2)20-6-4-3-5-7-20/h3-18H,1-2H3,(H,28,29,30)/b17-10+