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

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] butanoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] butanoate CAS Name: butanoic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] butanoate Traditional Name: butyric acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c1-3-8-21(25)26-18-12-7-11-17(13-18)24-20-14-19(22-15(2)23-20)16-9-5-4-6-10-16/h4-7,9-14H,3,8H2,1-2H3,(H,22,23,24)