6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C19H23N6OS2+ MolecularWeight: 415.55552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(S1)SCC2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N6OS2/c1-14-22-23-19(28-14)27-13-16-11-17(26)21-18(20-16)25-9-7-24(8-10-25)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,20,21,26)/p+1