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

Systemtic Name: (4-pentoxyphenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-pentoxyphenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-amoxyphenyl) ester Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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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=C4Cl)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C26H25ClN2O4S/c1-3-4-7-14-32-19-10-12-20(13-11-19)33-26(31)23-17(2)22-24(34-23)28-16-29(25(22)30)15-18-8-5-6-9-21(18)27/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3