ethyl 2,5-dimethyl-4-oxidanylidene-3-(2-oxidanyl-3-phenoxy-propyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-oxidanylidene-3-(2-oxidanyl-3-phenoxy-propyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(2-hydroxy-3-phenoxy-propyl)-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-hydroxy-3-phenoxypropyl)-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-hydroxy-3-phenoxypropyl)-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-hydroxy-3-phenoxy-propyl)-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC(COC3=CC=CC=C3)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC(COC3=CC=CC=C3)O)C)C

InChI

InChI=1S/C20H22N2O5S/c1-4-26-20(25)17-12(2)16-18(28-17)21-13(3)22(19(16)24)10-14(23)11-27-15-8-6-5-7-9-15/h5-9,14,23H,4,10-11H2,1-3H3