2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-veratryl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-8-13-15(20)18-12(19-16(13)25-14(8)17(21)22)7-9-4-5-10(23-2)11(6-9)24-3/h4-6H,7H2,1-3H3,(H,21,22)(H,18,19,20)