[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 6-benzamidohexanoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 6-benzamidohexanoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-18-16-19(2)28-25(27-18)29-21-12-9-13-22(17-21)32-23(30)14-7-4-8-15-26-24(31)20-10-5-3-6-11-20/h3,5-6,9-13,16-17H,4,7-8,14-15H2,1-2H3,(H,26,31)(H,27,28,29)