(4-bromophenyl) 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (4-bromophenyl) 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-bromophenyl) 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-bromophenyl) ester Formula: C21H14BrFN2O3S MolecularWeight: 473.314863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3F)C(=O)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrFN2O3S/c1-12-17-19(29-18(12)21(27)28-15-8-6-14(22)7-9-15)24-11-25(20(17)26)10-13-4-2-3-5-16(13)23/h2-9,11H,10H2,1H3