2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-[2-(2-pyridyl)ethyl]acetamide Formula: C20H25ClN6O2S MolecularWeight: 448.9695

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

InChI

InChI=1S/C20H25ClN6O2S/c1-2-19(29)27-11-9-26(10-12-27)17-13-16(21)24-20(25-17)30-14-18(28)23-8-6-15-5-3-4-7-22-15/h3-5,7,13H,2,6,8-12,14H2,1H3,(H,23,28)