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

Systemtic Name: methyl 4-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(3,3-dimethyl-2-oxo-butyl)sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3,3-dimethyl-2-oxobutyl)thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,3-dimethyl-2-oxobutyl)sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(2-keto-3,3-dimethyl-butyl)thio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C16H20N2O3S2/c1-8-11-13(22-7-10(19)16(3,4)5)17-9(2)18-14(11)23-12(8)15(20)21-6/h7H2,1-6H3