N-cyclopropyl-2-[4-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C17H21N5O3S/c23-14(19-12-1-2-12)9-20-4-6-21(7-5-20)15(24)10-22-11-18-16-13(17(22)25)3-8-26-16/h3,8,11-12H,1-2,4-7,9-10H2,(H,19,23)/p+1