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

Systemtic Name: (5S)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-allyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-allyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H23N5O2S+2 MolecularWeight: 325.42972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O2S/c1-2-6-19-13(21)11(12(20)17-14(19)22)10-16-5-9-18-7-3-15-4-8-18/h2,10-11,15H,1,3-9H2,(H,17,20,22)/p+2/t11-/m0/s1