3-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-5-phenyl-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-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-3-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H27N4O2S2+ MolecularWeight: 491.64818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)SC=C2C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S2/c1-28-25(32)23-21(20-10-6-3-7-11-20)17-33-24(23)27-26(28)34-18-22(31)30-14-12-29(13-15-30)16-19-8-4-2-5-9-19/h2-11,17H,12-16,18H2,1H3/p+1