5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[1-(2-hydroxyethyl)-1-piperazin-1-iumyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]-5-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCO)C2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3

Isomeric SMILES

C1C[N+](CCN1)(CCO)C2(C(=O)NC(=S)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O3S/c21-11-10-20(8-6-17-7-9-20)16(12-4-2-1-3-5-12)13(22)18-15(24)19-14(16)23/h1-5,17,21H,6-11H2,(H-,18,19,22,23,24)/p+1