1-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C17H13N4O2S2+ MolecularWeight: 369.44072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C(=O)N

InChI

InChI=1S/C17H12N4O2S2/c18-15(22)10-3-1-5-21(7-10)8-13-19-16(23)14-11(9-25-17(14)20-13)12-4-2-6-24-12/h1-7,9H,8H2,(H2-,18,19,20,22,23)/p+1