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

Systemtic Name: (4-propoxyphenyl) 3-[(2-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-propoxyphenyl) 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-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 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-propoxyphenyl) ester Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4F)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4F)C

InChI

InChI=1S/C24H21FN2O4S/c1-3-12-30-17-8-10-18(11-9-17)31-24(29)21-15(2)20-22(32-21)26-14-27(23(20)28)13-16-6-4-5-7-19(16)25/h4-11,14H,3,12-13H2,1-2H3