1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C13H16N4O2S/c14-12(18)8-1-4-17(5-2-8)7-10-15-9-3-6-20-11(9)13(19)16-10/h3,6,8H,1-2,4-5,7H2,(H2,14,18)(H,15,16,19)/p+1