ethyl 4-(4-bromanyl-2-fluoranyl-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-2-fluoranyl-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-bromo-2-fluoro-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-bromo-2-fluorophenoxy)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-2-fluorophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-bromo-2-fluoro-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H12BrFN2O3S MolecularWeight: 411.245483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)OC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)OC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C16H12BrFN2O3S/c1-3-22-16(21)13-8(2)12-14(19-7-20-15(12)24-13)23-11-5-4-9(17)6-10(11)18/h4-7H,3H2,1-2H3