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

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(2S)-2-ethylhexyl]-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C24H34N5O2S2+ MolecularWeight: 488.68906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C24H33N5O2S2/c1-3-5-7-17(4-2)14-25-24(31)29-11-9-28(10-12-29)15-20-26-22(30)21-18(16-33-23(21)27-20)19-8-6-13-32-19/h6,8,13,16-17H,3-5,7,9-12,14-15H2,1-2H3,(H,25,31)(H,26,27,30)/p+1/t17-/m0/s1