2-piperazin-4-ium-1-yl-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-piperazin-4-ium-1-yl-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-(isopropylsulfanylmethyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one CAS Name: 2-(1-piperazin-4-iumyl)-6-[(propan-2-ylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-piperazin-4-ium-1-yl-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-[(isopropylthio)methyl]-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Formula: C12H21N4OS+ MolecularWeight: 269.38634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=CC(=O)N=C(N1)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)SCC1=CC(=O)N=C(N1)N2CC[NH2+]CC2

InChI

InChI=1S/C12H20N4OS/c1-9(2)18-8-10-7-11(17)15-12(14-10)16-5-3-13-4-6-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,15,17)/p+1