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

Systemtic Name: (4-propoxyphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-propoxyphenyl) 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-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 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-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=C4)F)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

InChI

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