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

Systemtic Name: 1-[1-ethyl-6-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-1-ethyl-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[1-ethyl-6-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-1-ethyl-6-methyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-1-ethyl-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=NC1=S)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C(=NC1=S)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C)C

InChI

InChI=1S/C20H26N4OS/c1-4-24-15(2)18(16(3)25)19(21-20(24)26)23-12-10-22(11-13-23)14-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3/p+1