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

Systemtic Name: 3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(4-ethylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[2-(4-ethylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-(4-ethylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-(4-ethylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

InChI

InChI=1S/C18H17N3O4S/c1-3-11-4-6-12(7-5-11)20-13(22)8-21-9-19-16-14(17(21)23)10(2)15(26-16)18(24)25/h4-7,9H,3,8H2,1-2H3,(H,20,22)(H,24,25)