N-[3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide

Systemtic Name: N-[3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide Openeye Name: N-[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide CAS Name: N-[3-bromo-4-[(4-methyl-1-piperazinyl)methyl]phenyl]-4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: N-[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]benzamide Traditional Name: N-[3-bromo-4-[(4-methylpiperazino)methyl]phenyl]-4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]benzamide Formula: C28H29BrN8O MolecularWeight: 573.48686

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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)C)Br)NC4=NC=CC(=N4)C5=CN=CN=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)Br)NC4=NC=CC(=N4)C5=CN=CN=C5

InChI

InChI=1S/C28H29BrN8O/c1-19-3-4-20(13-26(19)35-28-32-8-7-25(34-28)22-15-30-18-31-16-22)27(38)33-23-6-5-21(24(29)14-23)17-37-11-9-36(2)10-12-37/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,33,38)(H,32,34,35)