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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-chloro-4-methoxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-chloro-4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-4-methoxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H13ClN3O3S- MolecularWeight: 362.81072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O3S/c1-7-12-14(20-9-4-5-11(23-3)10(17)6-9)18-8(2)19-15(12)24-13(7)16(21)22/h4-6H,1-3H3,(H,21,22)(H,18,19,20)/p-1