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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] cyclohexanecarboxylate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c1-30-24-26-21(17-9-4-2-5-10-17)16-22(27-24)25-19-13-8-14-20(15-19)29-23(28)18-11-6-3-7-12-18/h2,4-5,8-10,13-16,18H,3,6-7,11-12H2,1H3,(H,25,26,27)