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

Systemtic Name: 2-[4-chloranyl-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-chloro-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-chloro-6-(4-hexanoyl-3-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-(4-caproyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C19H30ClN5O3S MolecularWeight: 443.9912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN5O3S/c1-4-6-7-8-18(27)25-10-9-24(12-14(25)3)16-11-15(20)21-19(22-16)29-13-17(26)23-28-5-2/h11,14H,4-10,12-13H2,1-3H3,(H,23,26)