[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-phenylethanoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-phenylethanoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2S/c1-31-25-27-22(19-11-6-3-7-12-19)17-23(28-25)26-20-13-8-14-21(16-20)30-24(29)15-18-9-4-2-5-10-18/h2-14,16-17H,15H2,1H3,(H,26,27,28)