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

Systemtic Name: 1-[6-methyl-1-(phenylmethyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-benzyl-4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-1-(phenylmethyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[1-benzyl-4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-benzyl-4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C25H29N4OS+ MolecularWeight: 433.58896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1CC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C25H28N4OS/c1-19-23(20(2)30)24(26-25(31)29(19)18-22-11-7-4-8-12-22)28-15-13-27(14-16-28)17-21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3/p+1