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

Systemtic Name: [6-(4-chlorophenyl)-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl]methyl pyridine-3-carboxylate Openeye Name: [6-(4-chlorophenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [6-(4-chlorophenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-(4-chlorophenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [6-(4-chlorophenyl)-4-keto-1H-thieno[3,2-d]pyrimidin-2-yl]methyl ester Formula: C19H12ClN3O3S MolecularWeight: 397.83488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(S3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H12ClN3O3S/c20-13-5-3-11(4-6-13)15-8-14-17(27-15)18(24)23-16(22-14)10-26-19(25)12-2-1-7-21-9-12/h1-9H,10H2,(H,22,23,24)