3-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-3-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H25N4O2S3+ MolecularWeight: 497.6759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)SC=C2C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)SC=C2C5=CC=CS5

InChI

InChI=1S/C24H24N4O2S3/c1-26-23(30)21-18(19-8-5-13-31-19)15-32-22(21)25-24(26)33-16-20(29)28-11-9-27(10-12-28)14-17-6-3-2-4-7-17/h2-8,13,15H,9-12,14,16H2,1H3/p+1