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

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-(2-benzyloxy-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(2-oxo-2-phenylmethoxyethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-oxo-3-(2-oxo-2-phenylmethoxyethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-benzoxy-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OCC3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C21H22N2O5S/c1-13(2)10-28-21(26)18-14(3)17-19(29-18)22-12-23(20(17)25)9-16(24)27-11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3