2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H30ClN5O2S/c1-3-22(31)29-13-11-28(12-14-29)20-15-19(24)26-23(27-20)32-16-21(30)25-17(2)9-10-18-7-5-4-6-8-18/h4-8,15,17H,3,9-14,16H2,1-2H3,(H,25,30)