2-[4-chloranyl-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-hexanoyl-3-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[4-(4-caproyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C20H32ClN5O3S MolecularWeight: 458.01778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCOC)Cl

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCOC)Cl

InChI

InChI=1S/C20H32ClN5O3S/c1-4-5-6-7-19(28)26-10-9-25(13-15(26)2)17-12-16(21)23-20(24-17)30-14-18(27)22-8-11-29-3/h12,15H,4-11,13-14H2,1-3H3,(H,22,27)