5-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C10H17N4OS+ MolecularWeight: 241.33318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CNC(=S)NC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CNC(=S)NC2=O

InChI

InChI=1S/C10H16N4OS/c1-13-2-4-14(5-3-13)7-8-6-11-10(16)12-9(8)15/h6H,2-5,7H2,1H3,(H2,11,12,15,16)/p+1