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

Systemtic Name: 2-[4-chloranyl-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-chloro-6-(4-hexanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[4-chloro-6-(4-hexanoyl-3-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-(4-caproyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-isopropyl-acetamide Formula: C20H32ClN5O2S MolecularWeight: 442.01838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN5O2S/c1-5-6-7-8-19(28)26-10-9-25(12-15(26)4)17-11-16(21)23-20(24-17)29-13-18(27)22-14(2)3/h11,14-15H,5-10,12-13H2,1-4H3,(H,22,27)