4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]benzamide

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-(2-pyrimidinylamino)phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-(2-pyrimidylamino)phenyl]benzamide Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O/c1-18-4-9-21(16-22(18)28-24-25-10-3-11-26-24)27-23(31)20-7-5-19(6-8-20)17-30-14-12-29(2)13-15-30/h3-11,16H,12-15,17H2,1-2H3,(H,27,31)(H,25,26,28)