2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone

Systemtic Name: 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone Openeye Name: 2-[[4-(isobutylamino)-6-morpholino-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone CAS Name: 2-[[4-(2-methylpropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-1-(1-pyridin-1-iumyl)ethanone IUPAC Name: 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-ylethanone Traditional Name: 2-[[4-(isobutylamino)-6-morpholino-s-triazin-2-yl]thio]-1-pyridin-1-ium-1-yl-ethanone Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H25N6O2S/c1-14(2)12-19-16-20-17(24-8-10-26-11-9-24)22-18(21-16)27-13-15(25)23-6-4-3-5-7-23/h3-7,14H,8-13H2,1-2H3,(H,19,20,21,22)/q+1