4-[(3-acetamidophenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(3-acetamidophenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(3-acetamidoanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(3-acetamidoanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(3-acetamidoanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(3-acetamidoanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)NC(=O)C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)NC(=O)C)C)C(=O)O

InChI

InChI=1S/C17H16N4O3S/c1-8-13-15(18-9(2)19-16(13)25-14(8)17(23)24)21-12-6-4-5-11(7-12)20-10(3)22/h4-7H,1-3H3,(H,20,22)(H,23,24)(H,18,19,21)