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

Systemtic Name: 2-methylpropyl 3-(1-cyclohexyloxy-1-oxidanylidene-propan-2-yl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-[2-(cyclohexoxy)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1-cyclohexyloxy-1-oxopropan-2-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(1-cyclohexyloxy-1-oxopropan-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(cyclohexoxy)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)OC3CCCCC3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)OC3CCCCC3)C(=O)OCC(C)C

InChI

InChI=1S/C21H28N2O5S/c1-12(2)10-27-21(26)17-13(3)16-18(29-17)22-11-23(19(16)24)14(4)20(25)28-15-8-6-5-7-9-15/h11-12,14-15H,5-10H2,1-4H3