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

Systemtic Name: 3-[5-(3,4-dimethylphenyl)-4-oxidanylidene-2-propyl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(3,4-dimethylphenyl)-4-oxo-2-propyl-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(3,4-dimethylphenyl)-4-oxo-2-propyl-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(3,4-dimethylphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(3,4-dimethylphenyl)-4-keto-2-propyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-4-5-16-21-19-18(20(25)22(16)9-8-17(23)24)15(11-26-19)14-7-6-12(2)13(3)10-14/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,23,24)