(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 6-chloranylpyridine-3-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C13H8ClN3O3S MolecularWeight: 321.73892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

Isomeric SMILES

C1=CC(=NC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)Cl

InChI

InChI=1S/C13H8ClN3O3S/c14-9-2-1-7(5-15-9)13(19)20-6-10-16-8-3-4-21-11(8)12(18)17-10/h1-5H,6H2,(H,16,17,18)