2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Formula: C18H31ClN5OS+ MolecularWeight: 400.98964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)CC)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)CC)Cl

InChI

InChI=1S/C18H30ClN5OS/c1-4-7-23(8-5-2)16-13-15(19)20-18(21-16)26-14-17(25)24-11-9-22(6-3)10-12-24/h13H,4-12,14H2,1-3H3/p+1