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

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C30H23N3O3S MolecularWeight: 505.58692

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H23N3O3S/c1-37-30-32-27(21-10-4-2-5-11-21)20-28(33-30)31-23-13-9-17-26(19-23)36-29(34)22-12-8-16-25(18-22)35-24-14-6-3-7-15-24/h2-20H,1H3,(H,31,32,33)