1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H22N4O2S2/c25-18(14-28-20-17-6-13-27-19(17)21-15-22-20)24-9-7-23(8-10-24)11-12-26-16-4-2-1-3-5-16/h1-6,13,15H,7-12,14H2/p+1