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

Systemtic Name: 2-[(E)-2-(3-ethoxy-2-propoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(3-ethoxy-2-propoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(3-ethoxy-2-propoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(3-ethoxy-2-propoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(E)-2-(3-ethoxy-2-propoxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=CC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C/C2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

InChI

InChI=1S/C21H22N2O5S/c1-4-11-28-17-13(7-6-8-14(17)27-5-2)9-10-15-22-19(24)16-12(3)18(21(25)26)29-20(16)23-15/h6-10H,4-5,11H2,1-3H3,(H,25,26)(H,22,23,24)/b10-9+