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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-17-15-23(28-25(26-17)32-2)27-19-11-13-21(14-12-19)31-24(29)18-7-6-10-22(16-18)30-20-8-4-3-5-9-20/h3-16H,1-2H3,(H,26,27,28)