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

Systemtic Name: 2-[4-chloranyl-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-hexanoyl-3-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[4-(4-caproyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C21H34ClN5O3S MolecularWeight: 472.04436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClN5O3S/c1-4-5-6-8-20(29)27-11-10-26(14-16(27)2)18-13-17(22)24-21(25-18)31-15-19(28)23-9-7-12-30-3/h13,16H,4-12,14-15H2,1-3H3,(H,23,28)