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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-propionyl-piperazino)pyrimidin-2-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C20H25ClN6O2S MolecularWeight: 448.9695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN6O2S/c1-3-19(29)27-8-7-26(12-14(27)2)17-9-16(21)24-20(25-17)30-13-18(28)23-11-15-5-4-6-22-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,23,28)