N-butyl-2-[4-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26N5O2S+ MolecularWeight: 364.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C17H25N5O2S/c1-2-3-5-18-15(23)12-22-8-6-21(7-9-22)11-14-19-13-4-10-25-16(13)17(24)20-14/h4,10H,2-3,5-9,11-12H2,1H3,(H,18,23)(H,19,20,24)/p+1