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

Systemtic Name: 2-methylpropyl 3-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-carbethoxybenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-5-28-21(26)16-8-6-7-15(9-16)10-24-12-23-19-17(20(24)25)14(4)18(30-19)22(27)29-11-13(2)3/h6-9,12-13H,5,10-11H2,1-4H3