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

Systemtic Name: 4-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-chloro-2-methoxy-5-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-2-methoxy-5-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-chloro-2-methoxy-5-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-2-methoxy-5-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H15ClN3O3S- MolecularWeight: 376.8373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

InChI

InChI=1S/C17H16ClN3O3S/c1-7-5-11(12(24-4)6-10(7)18)21-15-13-8(2)14(17(22)23)25-16(13)20-9(3)19-15/h5-6H,1-4H3,(H,22,23)(H,19,20,21)/p-1