[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)CCCCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)CCCCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O3/c1-18-16-22(27-17-26-18)28-20-11-13-21(14-12-20)31-23(29)10-6-3-7-15-25-24(30)19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,25,30)(H,26,27,28)