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

Systemtic Name: 1-[[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[[5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C19H14ClN4O2S+ MolecularWeight: 397.85806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O2S/c20-13-5-3-11(4-6-13)14-10-27-19-16(14)18(26)22-15(23-19)9-24-7-1-2-12(8-24)17(21)25/h1-8,10H,9H2,(H2-,21,22,23,25,26)/p+1