[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate CAS Name: 2-(4-methoxyphenoxy)propanoic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-methoxyphenoxy)propanoate Traditional Name: 2-(4-methoxyphenoxy)propionic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)OC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H25N3O4S/c1-18(33-22-15-13-21(32-2)14-16-22)26(31)34-23-11-9-20(10-12-23)28-25-17-24(29-27(30-25)35-3)19-7-5-4-6-8-19/h4-18H,1-3H3,(H,28,29,30)