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

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholinopropyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-(3-morpholinopropyl)acetamide Formula: C20H31ClN6O3S MolecularWeight: 471.01654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCOCC3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCCN3CCOCC3)Cl

InChI

InChI=1S/C20H31ClN6O3S/c1-2-19(29)27-8-6-26(7-9-27)17-14-16(21)23-20(24-17)31-15-18(28)22-4-3-5-25-10-12-30-13-11-25/h14H,2-13,15H2,1H3,(H,22,28)