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

Systemtic Name: 4-[(3-carboxylato-4-chloranyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-carboxylato-4-chloro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-carboxylato-4-chloroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-carboxylato-4-chloroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-carboxylato-4-chloro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H8ClN3O4S-2 MolecularWeight: 361.75972

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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(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClN3O4S/c1-6-10-12(17-5-18-13(10)24-11(6)15(22)23)19-7-2-3-9(16)8(4-7)14(20)21/h2-5H,1H3,(H,20,21)(H,22,23)(H,17,18,19)/p-2