N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-4-yl]-3-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[4-[3-(2-azanylpyrimidin-4-yl)pyridin-4-yl]-3-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-[3-(2-aminopyrimidin-4-yl)-4-pyridyl]-3-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-[3-(2-amino-4-pyrimidinyl)-4-pyridinyl]-3-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-4-yl]-3-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[4-[3-(2-aminopyrimidin-4-yl)-4-pyridyl]-3-methyl-phenyl]-4-[(4-methylpiperazino)methyl]benzamide Formula: C29H31N7O MolecularWeight: 493.60274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)C4=C(C=NC=C4)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)C4=C(C=NC=C4)C5=NC(=NC=C5)N

InChI

InChI=1S/C29H31N7O/c1-20-17-23(7-8-24(20)25-9-11-31-18-26(25)27-10-12-32-29(30)34-27)33-28(37)22-5-3-21(4-6-22)19-36-15-13-35(2)14-16-36/h3-12,17-18H,13-16,19H2,1-2H3,(H,33,37)(H2,30,32,34)