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

Systemtic Name: 2-[4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C17H22ClN6OS+ MolecularWeight: 393.91418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C17H21ClN6OS/c1-23-5-7-24(8-6-23)15-9-14(18)21-17(22-15)26-12-16(25)20-11-13-3-2-4-19-10-13/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,25)/p+1