ethyl 5-methyl-2-(4-methylsulfanylphenyl)-4-oxidanylidene-1H-thieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 5-methyl-2-(4-methylsulfanylphenyl)-4-oxidanylidene-1H-thieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 5-methyl-2-(4-methylsulfanylphenyl)-4-oxo-1H-thieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-2-[4-(methylthio)phenyl]-4-oxo-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(4-methylsulfanylphenyl)-4-oxo-1H-thieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-5-methyl-2-[4-(methylthio)phenyl]-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N=C(N2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N=C(N2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H16N2O3S2/c1-4-22-17(21)14-13-12(9(2)24-14)16(20)19-15(18-13)10-5-7-11(23-3)8-6-10/h5-8H,4H2,1-3H3,(H,18,19,20)