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

Systemtic Name: 4-[(3-carboxylatophenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-carboxylatoanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-carboxylatoanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-carboxylatoanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-carboxylatoanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H11N3O4S-2 MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-7-11-13(19-10-5-3-4-9(6-10)15(20)21)17-8(2)18-14(11)24-12(7)16(22)23/h3-6H,1-2H3,(H,20,21)(H,22,23)(H,17,18,19)/p-2