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

Systemtic Name: 5-[[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(4-methylpiperazin-4-ium-1-yl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(4-methyl-1-piperazin-4-iumyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(4-methylpiperazin-4-ium-1-yl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H17N4O3S+ MolecularWeight: 321.37478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C14H16N4O3S/c1-17-4-6-18(7-5-17)11-3-2-9(21-11)8-10-12(19)15-14(22)16-13(10)20/h2-3,8H,4-7H2,1H3,(H2,15,16,19,20,22)/p+1