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

Systemtic Name: 3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 3-ethyl-4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 3-ethyl-4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C30H34N8O MolecularWeight: 522.64396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CN=C4)CN5CCN(CC5)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CN=C4)CN5CCN(CC5)C

InChI

InChI=1S/C30H34N8O/c1-4-22-15-23(6-7-24(22)19-38-13-11-37(3)12-14-38)29(39)34-26-8-5-21(2)28(16-26)36-30-33-10-9-27(35-30)25-17-31-20-32-18-25/h5-10,15-18,20H,4,11-14,19H2,1-3H3,(H,34,39)(H,33,35,36)