2-[(E)-2-(3-methoxy-2-propan-2-yloxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(E)-2-(3-methoxy-2-propan-2-yloxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=C(C(=CC=C3)OC)OC(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C=C/C3=C(C(=CC=C3)OC)OC(C)C)C(=O)O

InChI

InChI=1S/C20H20N2O5S/c1-10(2)27-16-12(6-5-7-13(16)26-4)8-9-14-21-18(23)15-11(3)17(20(24)25)28-19(15)22-14/h5-10H,1-4H3,(H,24,25)(H,21,22,23)/b9-8+