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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-morpholinoethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-propionyl-piperazino)pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide Formula: C20H31ClN6O3S MolecularWeight: 471.01654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCOCC3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCOCC3)Cl

InChI

InChI=1S/C20H31ClN6O3S/c1-3-19(29)27-7-6-26(13-15(27)2)17-12-16(21)23-20(24-17)31-14-18(28)22-4-5-25-8-10-30-11-9-25/h12,15H,3-11,13-14H2,1-2H3,(H,22,28)