N-(3-chlorophenyl)-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C22H21ClN5O2S2+ MolecularWeight: 487.01744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H20ClN5O2S2/c23-14-3-1-4-15(11-14)24-22(30)28-8-6-27(7-9-28)12-18-25-20(29)19-16(13-32-21(19)26-18)17-5-2-10-31-17/h1-5,10-11,13H,6-9,12H2,(H,24,30)(H,25,26,29)/p+1