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

Systemtic Name: (phenylmethyl) 2-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 2-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-fluorobenzyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H17FN2O3S/c1-13-18-20(26)24-17(11-15-9-5-6-10-16(15)23)25-21(18)29-19(13)22(27)28-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,24,25,26)