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

Systemtic Name: 3-[4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-isopropylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[4-oxo-5-(4-propan-2-ylphenyl)-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-(4-keto-5-p-cumenyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)O

InChI

InChI=1S/C18H18N2O3S/c1-11(2)12-3-5-13(6-4-12)14-9-24-17-16(14)18(23)20(10-19-17)8-7-15(21)22/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)