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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(4-phenoxybutyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N2O4S/c1-3-25-20(24)17-14(2)16-18(27-17)21-13-22(19(16)23)11-7-8-12-26-15-9-5-4-6-10-15/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3