2-[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoic acid

Systemtic Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoic acid Openeye Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoic acid CAS Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid Traditional Name: 2-(4-keto-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)butyric acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C19H20N2O4S/c1-4-14(19(23)24)21-10-20-17-16(18(21)22)15(11(3)26-17)12-6-8-13(9-7-12)25-5-2/h6-10,14H,4-5H2,1-3H3,(H,23,24)