5-[(4-methylpiperazin-4-ium-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(4-methylpiperazin-4-ium-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-methylpiperazin-4-ium-1-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-methylpiperazin-4-ium-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(4-methylpiperazin-4-ium-1-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C10H15N4O2S+ MolecularWeight: 255.3167

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C10H14N4O2S/c1-13-2-4-14(5-3-13)6-7-8(15)11-10(17)12-9(7)16/h6H,2-5H2,1H3,(H2,11,12,15,16,17)/p+1