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

Systemtic Name: methyl 3-[3-(3-ethylphenoxy)-2-oxidanyl-propyl]-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-[3-(3-ethylphenoxy)-2-hydroxy-propyl]-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[3-(3-ethylphenoxy)-2-hydroxypropyl]-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(3-ethylphenoxy)-2-hydroxypropyl]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[3-(3-ethylphenoxy)-2-hydroxy-propyl]-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C(=NC3=C(C2=O)C(=C(S3)C(=O)OC)C)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CN2C(=NC3=C(C2=O)C(=C(S3)C(=O)OC)C)C)O

InChI

InChI=1S/C21H24N2O5S/c1-5-14-7-6-8-16(9-14)28-11-15(24)10-23-13(3)22-19-17(20(23)25)12(2)18(29-19)21(26)27-4/h6-9,15,24H,5,10-11H2,1-4H3