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

Systemtic Name: (4-methoxycarbonylphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 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-methoxycarbonylphenyl) ester IUPAC Name: (4-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-carbomethoxyphenyl) ester Formula: C23H17FN2O5S MolecularWeight: 452.454883

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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=CC=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H17FN2O5S/c1-13-18-20(25-12-26(21(18)27)11-14-4-3-5-16(24)10-14)32-19(13)23(29)31-17-8-6-15(7-9-17)22(28)30-2/h3-10,12H,11H2,1-2H3