2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C15H24N5O2S+ MolecularWeight: 338.44836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC(=O)N3CCOCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C15H23N5O2S/c1-18-4-6-19(7-5-18)13-2-3-16-15(17-13)23-12-14(21)20-8-10-22-11-9-20/h2-3H,4-12H2,1H3/p+1