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

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-(2-piperidinoethyl)acetamide Formula: C20H31ClN6O2S MolecularWeight: 455.01714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

InChI

InChI=1S/C20H31ClN6O2S/c1-2-19(29)27-12-10-26(11-13-27)17-14-16(21)23-20(24-17)30-15-18(28)22-6-9-25-7-4-3-5-8-25/h14H,2-13,15H2,1H3,(H,22,28)