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

Systemtic Name: 1-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-6-methyl-1-phenyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)CCO)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CC[NH+](CC3)CCO)C(=O)C

InChI

InChI=1S/C19H24N4O2S/c1-14-17(15(2)25)18(22-10-8-21(9-11-22)12-13-24)20-19(26)23(14)16-6-4-3-5-7-16/h3-7,24H,8-13H2,1-2H3/p+1