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

Systemtic Name: (5E)-1-cyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-cyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-cyclohexyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-cyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-cyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H28N5O2S+ MolecularWeight: 366.50152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)/C(=C/NCCN3CC[NH2+]CC3)/C(=O)NC2=S

InChI

InChI=1S/C17H27N5O2S/c23-15-14(12-19-8-11-21-9-6-18-7-10-21)16(24)22(17(25)20-15)13-4-2-1-3-5-13/h12-13,18-19H,1-11H2,(H,20,23,25)/p+1/b14-12+