1-[1-ethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[1-ethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-ethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[1-ethyl-4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[1-ethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-ethyl-4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C15H25N4O2S+ MolecularWeight: 325.4496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=NC1=S)N2CC[NH+](CC2)CCO)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C(=NC1=S)N2CC[NH+](CC2)CCO)C(=O)C)C

InChI

InChI=1S/C15H24N4O2S/c1-4-19-11(2)13(12(3)21)14(16-15(19)22)18-7-5-17(6-8-18)9-10-20/h20H,4-10H2,1-3H3/p+1