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

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C19H23ClN6O2S MolecularWeight: 434.94292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C19H23ClN6O2S/c1-2-18(28)26-8-6-25(7-9-26)16-10-15(20)23-19(24-16)29-13-17(27)22-12-14-4-3-5-21-11-14/h3-5,10-11H,2,6-9,12-13H2,1H3,(H,22,27)