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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic 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 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5)OC

InChI

InChI=1S/C25H19N3O5S/c1-31-20-8-7-14(11-21(20)32-2)19-12-16(15-5-3-4-6-17(15)26-19)25(30)33-13-22-27-18-9-10-34-23(18)24(29)28-22/h3-12H,13H2,1-2H3,(H,27,28,29)