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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-methylbutanoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-[[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=C(C=C2)OC(=O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-11(2)9-16(21)22-14-7-5-13(6-8-14)19-15-10-12(3)18-17(20-15)23-4/h5-8,10-11H,9H2,1-4H3,(H,18,19,20)