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

Systemtic Name: (4-butoxycarbonylphenyl) 3-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 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-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 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-butoxycarbonylphenyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-6-11-27-20(25)14-7-9-15(10-8-14)28-21(26)17-13(3)16-18(29-17)22-12-23(5-2)19(16)24/h7-10,12H,4-6,11H2,1-3H3