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

Systemtic Name: 4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(3-phenylprop-2-ynyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-(3-phenylprop-2-ynyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(3-phenylprop-2-ynyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(3-phenylprop-2-ynyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-(3-phenylprop-2-ynyl)piperazin-4-ium-1-carboxamide Formula: C25H24N5O2S2+ MolecularWeight: 490.62036

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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)NCC#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C(=O)NCC#CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2S2/c31-23-22-19(20-9-5-15-33-20)17-34-24(22)28-21(27-23)16-29-11-13-30(14-12-29)25(32)26-10-4-8-18-6-2-1-3-7-18/h1-3,5-7,9,15,17H,10-14,16H2,(H,26,32)(H,27,28,31)/p+1