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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-4-17(5-2)23(27)28-20-13-11-19(12-14-20)26-22-15-21(24-16(3)25-22)18-9-7-6-8-10-18/h6-15,17H,4-5H2,1-3H3,(H,24,25,26)