[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-methylbutanoate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-methylbutanoate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2/c1-11(2)9-16(21)22-15-7-5-14(6-8-15)20-17-18-12(3)10-13(4)19-17/h5-8,10-11H,9H2,1-4H3,(H,18,19,20)