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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-(2-methylpropoxy)benzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-15(2)14-28-20-7-5-6-17(13-20)22(27)29-19-10-8-18(9-11-19)25-21-12-16(3)24-23(26-21)30-4/h5-13,15H,14H2,1-4H3,(H,24,25,26)