3-[5-(4-methoxy-3-methyl-phenyl)-2,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[5-(4-methoxy-3-methyl-phenyl)-2,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-methoxy-3-methyl-phenyl)-2,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(4-methoxy-3-methylphenyl)-2,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(4-methoxy-3-methylphenyl)-2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[4-keto-5-(4-methoxy-3-methyl-phenyl)-2,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CCC(=O)O)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CCC(=O)O)C)OC

InChI

InChI=1S/C19H20N2O4S/c1-10-9-13(5-6-14(10)25-4)16-11(2)26-18-17(16)19(24)21(12(3)20-18)8-7-15(22)23/h5-6,9H,7-8H2,1-4H3,(H,22,23)