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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=CC=C3)C(=O)OCC(C)C

InChI

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