4-[(5-carboxylato-2-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[(5-carboxylato-2-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(5-carboxylato-2-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(5-carboxylato-2-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(5-carboxylato-2-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-carboxylato-2-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H13N3O4S-2 MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

InChI

InChI=1S/C17H15N3O4S/c1-7-4-5-10(16(21)22)6-11(7)20-14-12-8(2)13(17(23)24)25-15(12)19-9(3)18-14/h4-6H,1-3H3,(H,21,22)(H,23,24)(H,18,19,20)/p-2