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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C(C)C)CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)C(C)C)CCC(=O)O)C

InChI

InChI=1S/C20H22N2O3S/c1-11(2)18-21-19-17(20(25)22(18)8-7-16(23)24)15(10-26-19)14-6-5-12(3)13(4)9-14/h5-6,9-11H,7-8H2,1-4H3,(H,23,24)