2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CN2C=NC3=C(C2=O)C=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)CN2C=NC3=C(C2=O)C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2S/c26-18(14-25-15-22-19-17(20(25)27)6-13-28-19)21-7-8-23-9-11-24(12-10-23)16-4-2-1-3-5-16/h1-6,13,15H,7-12,14H2,(H,21,26)/p+1