5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C10H18N4O2S+2 MolecularWeight: 258.34052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(NC(=S)NC2=O)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(NC(=S)NC2=O)O

InChI

InChI=1S/C10H16N4O2S/c1-13-2-4-14(5-3-13)6-7-8(15)11-10(17)12-9(7)16/h2-6H2,1H3,(H3,11,12,15,16,17)/p+2