3-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 3-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(2-ethoxyanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(o-phenetidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

InChI

InChI=1S/C18H17N3O5S/c1-3-26-12-7-5-4-6-11(12)20-13(22)8-21-9-19-16-14(17(21)23)10(2)15(27-16)18(24)25/h4-7,9H,3,8H2,1-2H3,(H,20,22)(H,24,25)