ethyl 3-(3,3-dimethyl-2-oxidanylidene-butyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-(3,3-dimethyl-2-oxidanylidene-butyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(3,3-dimethyl-2-oxo-butyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,3-dimethyl-2-oxobutyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(2-keto-3,3-dimethyl-butyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)C(C)(C)C)C

InChI

InChI=1S/C16H20N2O4S/c1-6-22-15(21)12-9(2)11-13(23-12)17-8-18(14(11)20)7-10(19)16(3,4)5/h8H,6-7H2,1-5H3