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

Systemtic Name: 3-chloranyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 3-chloro-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 3-chloro-4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 3-chloro-4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H29ClN8O MolecularWeight: 529.03586

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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)Cl)NC4=NC=CC(=N4)C5=CN=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN8O/c1-19-3-6-23(14-26(19)35-28-32-8-7-25(34-28)22-15-30-18-31-16-22)33-27(38)20-4-5-21(24(29)13-20)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)