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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholinopropyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(3-morpholinopropyl)acetamide Formula: C23H37ClN6O3S MolecularWeight: 513.09628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37ClN6O3S/c1-3-4-6-22(32)30-10-9-29(16-18(30)2)20-15-19(24)26-23(27-20)34-17-21(31)25-7-5-8-28-11-13-33-14-12-28/h15,18H,3-14,16-17H2,1-2H3,(H,25,31)