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

Systemtic Name: (5S)-1-ethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-ethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-ethyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-ethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-ethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H23N5O2S+2 MolecularWeight: 313.41902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)NC1=S)C=NCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CCN1C(=O)[C@H](C(=O)NC1=S)C=NCC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C13H21N5O2S/c1-2-18-12(20)10(11(19)16-13(18)21)9-15-5-8-17-6-3-14-4-7-17/h9-10,14H,2-8H2,1H3,(H,16,19,21)/p+2/t10-/m0/s1