2-phenoxyethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-phenoxyethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 3-(2-isopropoxy-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(2-oxo-2-propan-2-yloxyethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-methyl-4-oxo-3-(2-oxo-2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-isopropoxy-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC(C)C)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC(C)C)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S/c1-13(2)29-16(24)11-23-12-22-19-17(20(23)25)14(3)18(30-19)21(26)28-10-9-27-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3