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

Systemtic Name: 1-[6-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-allyl-4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-allyl-4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C21H27N4OS+ MolecularWeight: 383.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1CC=C)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1CC=C)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H26N4OS/c1-4-10-25-16(2)19(17(3)26)20(22-21(25)27)24-13-11-23(12-14-24)15-18-8-6-5-7-9-18/h4-9H,1,10-15H2,2-3H3/p+1