2-chloranyl-6-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-chloro-6-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-chloro-6-[4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-chloro-6-[4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-yl]benzonitrile Formula: C22H19ClN5OS2+ MolecularWeight: 469.00216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=C(C(=CC=C5)Cl)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=C(C(=CC=C5)Cl)C#N

InChI

InChI=1S/C22H18ClN5OS2/c23-16-3-1-4-17(14(16)11-24)28-8-6-27(7-9-28)12-19-25-21(29)20-15(13-31-22(20)26-19)18-5-2-10-30-18/h1-5,10,13H,6-9,12H2,(H,25,26,29)/p+1