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

Systemtic Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2)OCC#C

InChI

InChI=1S/C21H18N2O5S/c1-4-10-28-14-8-6-13(11-15(14)27-5-2)7-9-16-22-19(24)17-12(3)18(21(25)26)29-20(17)23-16/h1,6-9,11H,5,10H2,2-3H3,(H,25,26)(H,22,23,24)/b9-7+