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

Systemtic Name: 1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C13H11N4O2S+ MolecularWeight: 287.31704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=NC(=O)C3=C(N2)C=CS3)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=NC(=O)C3=C(N2)C=CS3)C(=O)N

InChI

InChI=1S/C13H10N4O2S/c14-12(18)8-2-1-4-17(6-8)7-10-15-9-3-5-20-11(9)13(19)16-10/h1-6H,7H2,(H2-,14,15,16,18,19)/p+1