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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC)C

InChI

InChI=1S/C20H22N2O4S/c1-4-6-11-25-14-7-9-15(10-8-14)26-20(24)17-13(3)16-18(27-17)21-12-22(5-2)19(16)23/h7-10,12H,4-6,11H2,1-3H3