ethyl 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-phenylmethoxy-butan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-phenylmethoxy-butan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(1-benzyloxycarbonylpropyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(1-oxo-1-phenylmethoxybutan-2-yl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-(1-oxo-1-phenylmethoxybutan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(1-carbobenzoxypropyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C21H22N2O5S/c1-4-15(20(25)28-11-14-9-7-6-8-10-14)23-12-22-18-16(19(23)24)13(3)17(29-18)21(26)27-5-2/h6-10,12,15H,4-5,11H2,1-3H3