[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3-propan-2-ylphenoxy)ethanoate

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3-propan-2-ylphenoxy)ethanoate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3-isopropylphenoxy)acetate CAS Name: 2-(3-propan-2-ylphenoxy)acetic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(3-propan-2-ylphenoxy)acetate Traditional Name: 2-(3-isopropylphenoxy)acetic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-19(2)21-10-7-11-24(16-21)33-18-27(32)34-23-14-12-22(13-15-23)29-26-17-25(30-28(31-26)35-3)20-8-5-4-6-9-20/h4-17,19H,18H2,1-3H3,(H,29,30,31)