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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyridine-4-carboxylate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic 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 pyridine-4-carboxylate Traditional Name: isonicotinic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H13N3O3S MolecularWeight: 363.38982

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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=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H13N3O3S/c23-17-16-14(12-4-2-1-3-5-12)11-26-18(16)22-15(21-17)10-25-19(24)13-6-8-20-9-7-13/h1-9,11H,10H2,(H,21,22,23)