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

Systemtic Name: 2-[4-chloranyl-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[4-chloro-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[4-chloro-6-(4-hexanoyl-3-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[4-(4-caproyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C20H30ClN5O2S MolecularWeight: 440.0025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

InChI

InChI=1S/C20H30ClN5O2S/c1-3-4-5-6-19(28)26-10-9-25(12-14(26)2)17-11-16(21)23-20(24-17)29-13-18(27)22-15-7-8-15/h11,14-15H,3-10,12-13H2,1-2H3,(H,22,27)