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

Systemtic Name: (4-bromanyl-2-methoxycarbonyl-phenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-bromo-2-methoxycarbonyl-phenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-bromo-2-methoxycarbonylphenyl) ester IUPAC Name: (4-bromo-2-methoxycarbonylphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-bromo-2-carbomethoxy-phenyl) ester Formula: C23H16BrFN2O5S MolecularWeight: 531.350943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)OC4=C(C=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)F)C(=O)OC4=C(C=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C23H16BrFN2O5S/c1-12-18-20(26-11-27(21(18)28)10-13-4-3-5-15(25)8-13)33-19(12)23(30)32-17-7-6-14(24)9-16(17)22(29)31-2/h3-9,11H,10H2,1-2H3