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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=CS2)C3=CC(=CC=C3)OC)C(=O)N1CCC(=O)O

Isomeric SMILES

CCCC1=NC2=C(C(=CS2)C3=CC(=CC=C3)OC)C(=O)N1CCC(=O)O

InChI

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