(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C19H13N3O4S/c23-17-16-14(12-4-2-1-3-5-12)11-27-18(16)21-15(20-17)10-26-19(24)13-6-8-22(25)9-7-13/h1-9,11H,10H2,(H,20,21,23)