(5E)-1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-methyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-methyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H20N5O2S+ MolecularWeight: 298.3845

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/NCCN2CC[NH2+]CC2)/C(=O)NC1=S

InChI

InChI=1S/C12H19N5O2S/c1-16-11(19)9(10(18)15-12(16)20)8-14-4-7-17-5-2-13-3-6-17/h8,13-14H,2-7H2,1H3,(H,15,18,20)/p+1/b9-8+