2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholinopropyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-propionyl-piperazino)pyrimidin-2-yl]thio]-N-(3-morpholinopropyl)acetamide Formula: C21H33ClN6O3S MolecularWeight: 485.04312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCOCC3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCOCC3)Cl

InChI

InChI=1S/C21H33ClN6O3S/c1-3-20(30)28-8-7-27(14-16(28)2)18-13-17(22)24-21(25-18)32-15-19(29)23-5-4-6-26-9-11-31-12-10-26/h13,16H,3-12,14-15H2,1-2H3,(H,23,29)