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

Systemtic Name: 4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-[(1S)-1-(2-pyridyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-[(1S)-1-(2-pyridinyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-[(1S)-1-(2-pyridyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C23H25N6O2S2+ MolecularWeight: 481.6136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)NC(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C23H24N6O2S2/c1-15(17-5-2-3-7-24-17)25-23(31)29-10-8-28(9-11-29)13-19-26-21(30)20-16(14-33-22(20)27-19)18-6-4-12-32-18/h2-7,12,14-15H,8-11,13H2,1H3,(H,25,31)(H,26,27,30)/p+1/t15-/m0/s1