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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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