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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,2-dimethylpropanoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-11-9-14(20-16(18-11)23-5)19-12-7-6-8-13(10-12)22-15(21)17(2,3)4/h6-10H,1-5H3,(H,18,19,20)