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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C21H27ClN6O2S MolecularWeight: 462.99608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C21H27ClN6O2S/c1-3-5-20(30)28-9-8-27(13-15(28)2)18-10-17(22)25-21(26-18)31-14-19(29)24-12-16-6-4-7-23-11-16/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3,(H,24,29)