ethyl 5-chloranyl-6-[4-[6-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-propylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[6-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-propylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[6-(3-chloro-4-fluoro-phenyl)-2-(4-propylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[6-(3-chloro-4-fluorophenyl)-2-(4-propyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[6-(3-chloro-4-fluorophenyl)-2-(4-propylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[6-(3-chloro-4-fluoro-phenyl)-2-(4-propylpiperazino)pyrimidin-4-yl]piperazino]nicotinic acid ethyl ester Formula: C29H34Cl2FN7O2 MolecularWeight: 602.530363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC(=CC(=N2)N3CCN(CC3)C4=C(C=C(C=N4)C(=O)OCC)Cl)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CCCN1CCN(CC1)C2=NC(=CC(=N2)N3CCN(CC3)C4=C(C=C(C=N4)C(=O)OCC)Cl)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C29H34Cl2FN7O2/c1-3-7-36-8-10-39(11-9-36)29-34-25(20-5-6-24(32)22(30)16-20)18-26(35-29)37-12-14-38(15-13-37)27-23(31)17-21(19-33-27)28(40)41-4-2/h5-6,16-19H,3-4,7-15H2,1-2H3