[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)OC1=CC=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2/c1-15(2)12-21(25)26-18-10-8-17(9-11-18)24-20-13-19(22-14-23-20)16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,22,23,24)