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

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C18H29ClN5OS+ MolecularWeight: 398.97376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C)Cl

InChI

InChI=1S/C18H28ClN5OS/c1-3-22-8-10-23(11-9-22)16-12-15(19)20-18(21-16)26-13-17(25)24-6-4-14(2)5-7-24/h12,14H,3-11,13H2,1-2H3/p+1