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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-propionyl-piperazino)pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C18H28ClN5O2S MolecularWeight: 413.96522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5O2S/c1-5-16(25)24-9-8-23(11-13(24)4)15-10-14(19)20-18(21-15)27-12-17(26)22(6-2)7-3/h10,13H,5-9,11-12H2,1-4H3