2-methylpropyl 5-methyl-4-oxidanylidene-3-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-3-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[(2R)-1-oxo-1-phenylpropan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-oxo-3-[(2R)-1-oxo-1-phenylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-2-phenyl-ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)[C@H](C)C(=O)C3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C21H22N2O4S/c1-12(2)10-27-21(26)18-13(3)16-19(28-18)22-11-23(20(16)25)14(4)17(24)15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3/t14-/m1/s1