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

Systemtic Name: ethyl 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[4-(4-methylphenoxy)butyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H24N2O4S/c1-4-26-21(25)18-15(3)17-19(28-18)22-13-23(20(17)24)11-5-6-12-27-16-9-7-14(2)8-10-16/h7-10,13H,4-6,11-12H2,1-3H3