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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2S2/c1-3-4-5-6-8-17(2)25-24(31)29-12-10-28(11-13-29)15-20-26-22(30)21-18(16-33-23(21)27-20)19-9-7-14-32-19/h7,9,14,16-17H,3-6,8,10-13,15H2,1-2H3,(H,25,31)(H,26,27,30)/p+1/t17-/m0/s1