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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H23N3O2 MolecularWeight: 361.43692

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c1-3-16(4-2)22(26)27-19-12-10-18(11-13-19)25-21-14-20(23-15-24-21)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,23,24,25)