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

Systemtic Name: methyl 2,5-dimethyl-4-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2,5-dimethyl-4-(4-oxo-4-phenyl-butyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[(4-oxo-4-phenylbutyl)thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-(4-oxo-4-phenylbutyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4-keto-4-phenyl-butyl)thio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCCCC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCCCC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O3S2/c1-12-16-18(21-13(2)22-19(16)27-17(12)20(24)25-3)26-11-7-10-15(23)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3