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

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-ethyl-6-methyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-ethyl-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-ethyl-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-ethyl-6-methyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-ethyl-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C26H31N4OS+ MolecularWeight: 447.61554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=NC1=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C(=NC1=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)C

InChI

InChI=1S/C26H30N4OS/c1-4-30-19(2)23(20(3)31)25(27-26(30)32)29-17-15-28(16-18-29)24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,24H,4,15-18H2,1-3H3/p+1