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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-4-fluoroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-chloro-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H8ClFN3O2S- MolecularWeight: 336.748623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClFN3O2S/c1-6-10-12(19-7-2-3-9(16)8(15)4-7)17-5-18-13(10)22-11(6)14(20)21/h2-5H,1H3,(H,20,21)(H,17,18,19)/p-1