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

Systemtic Name: 3-[2-methyl-4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-isopropylphenyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[2-methyl-4-oxo-5-(4-propan-2-ylphenyl)-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[2-methyl-4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-(4-keto-2-methyl-5-p-cumenyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1CCC(=O)O

Isomeric SMILES

CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1CCC(=O)O

InChI

InChI=1S/C19H20N2O3S/c1-11(2)13-4-6-14(7-5-13)15-10-25-18-17(15)19(24)21(12(3)20-18)9-8-16(22)23/h4-7,10-11H,8-9H2,1-3H3,(H,22,23)