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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C20H32ClN5O2S MolecularWeight: 442.01838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN5O2S/c1-5-8-9-18(27)26-11-10-25(13-15(26)4)17-12-16(21)22-20(23-17)29-14-19(28)24(6-2)7-3/h12,15H,5-11,13-14H2,1-4H3