2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)ethanamide

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(2-morpholinoethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide Formula: C21H33ClN6O3S MolecularWeight: 485.04312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCOCC3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCOCC3)Cl

InChI

InChI=1S/C21H33ClN6O3S/c1-3-4-20(30)28-8-7-27(14-16(28)2)18-13-17(22)24-21(25-18)32-15-19(29)23-5-6-26-9-11-31-12-10-26/h13,16H,3-12,14-15H2,1-2H3,(H,23,29)