N-[4-[(4-dimethylphosphorylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-methylpyrimidin-2-yl)amino]benzamide

Systemtic Name: N-[4-[(4-dimethylphosphorylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-methylpyrimidin-2-yl)amino]benzamide Openeye Name: N-[4-[(4-dimethylphosphorylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-methylpyrimidin-2-yl)amino]benzamide CAS Name: N-[4-[(4-dimethylphosphoryl-1-piperazinyl)methyl]phenyl]-4-methyl-3-[(4-methyl-2-pyrimidinyl)amino]benzamide IUPAC Name: N-[4-[(4-dimethylphosphorylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-methylpyrimidin-2-yl)amino]benzamide Traditional Name: N-[4-[(4-dimethylphosphorylpiperazino)methyl]phenyl]-4-methyl-3-[(4-methylpyrimidin-2-yl)amino]benzamide Formula: C26H33N6O2P MolecularWeight: 492.552981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)P(=O)(C)C)NC4=NC=CC(=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)P(=O)(C)C)NC4=NC=CC(=N4)C

InChI

InChI=1S/C26H33N6O2P/c1-19-5-8-22(17-24(19)30-26-27-12-11-20(2)28-26)25(33)29-23-9-6-21(7-10-23)18-31-13-15-32(16-14-31)35(3,4)34/h5-12,17H,13-16,18H2,1-4H3,(H,29,33)(H,27,28,30)