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

Systemtic Name: (phenylmethyl) 3-(2-cyclopentyloxy-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[2-(cyclopentoxy)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-cyclopentyloxy-2-oxoethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-cyclopentyloxy-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(cyclopentoxy)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC3CCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC3CCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S/c1-14-18-20(30-19(14)22(27)28-12-15-7-3-2-4-8-15)23-13-24(21(18)26)11-17(25)29-16-9-5-6-10-16/h2-4,7-8,13,16H,5-6,9-12H2,1H3