(5R)-1-methyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-1-methyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-methyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-methyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-methyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-methyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H21N5O2S+2 MolecularWeight: 299.39244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)NC1=S)C=NCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CN1C(=O)[C@@H](C(=O)NC1=S)C=NCC[NH+]2CC[NH2+]CC2

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/h8-9,13H,2-7H2,1H3,(H,15,18,20)/p+2/t9-/m1/s1