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

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-methylbutanoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-15(2)12-22(26)27-19-11-7-10-18(13-19)25-21-14-20(23-16(3)24-21)17-8-5-4-6-9-17/h4-11,13-15H,12H2,1-3H3,(H,23,24,25)