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

Systemtic Name: 4-[(3-carboxylato-4-chloranyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-carboxylato-4-chloro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-carboxylato-4-chloroanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-carboxylato-4-chloroanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-carboxylato-4-chloro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H10ClN3O4S-2 MolecularWeight: 375.7863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)Cl)C(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)Cl)C(=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C16H12ClN3O4S/c1-6-11-13(18-7(2)19-14(11)25-12(6)16(23)24)20-8-3-4-10(17)9(5-8)15(21)22/h3-5H,1-2H3,(H,21,22)(H,23,24)(H,18,19,20)/p-2