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

Systemtic Name: (4-methylphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: p-tolyl 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-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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 p-tolyl ester Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C22H17FN2O3S/c1-13-6-8-17(9-7-13)28-22(27)19-14(2)18-20(29-19)24-12-25(21(18)26)11-15-4-3-5-16(23)10-15/h3-10,12H,11H2,1-2H3