3-[5-(3-methoxyphenyl)-4-oxidanylidene-2-propan-2-yl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[5-(3-methoxyphenyl)-4-oxidanylidene-2-propan-2-yl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[2-isopropyl-5-(3-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(3-methoxyphenyl)-4-oxo-2-propan-2-yl-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(3-methoxyphenyl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[2-isopropyl-4-keto-5-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=CS2)C3=CC(=CC=C3)OC)C(=O)N1CCC(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C(=CS2)C3=CC(=CC=C3)OC)C(=O)N1CCC(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-11(2)17-20-18-16(19(24)21(17)8-7-15(22)23)14(10-26-18)12-5-4-6-13(9-12)25-3/h4-6,9-11H,7-8H2,1-3H3,(H,22,23)