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

Systemtic Name: (4-pentoxyphenyl) 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-pentoxyphenyl) 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-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 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-amoxyphenyl) ester Formula: C26H25FN2O4S MolecularWeight: 480.551103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C26H25FN2O4S/c1-3-4-5-13-32-20-9-11-21(12-10-20)33-26(31)23-17(2)22-24(34-23)28-16-29(25(22)30)15-18-7-6-8-19(27)14-18/h6-12,14,16H,3-5,13,15H2,1-2H3