ethyl 4-[(2-bromanyl-4-methyl-phenyl)amino]-2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(2-bromanyl-4-methyl-phenyl)amino]-2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-bromo-4-methyl-anilino)-2-(2-methoxy-2-oxo-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-bromo-4-methylanilino)-2-(2-methoxy-2-oxoethyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-4-methylanilino)-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-bromo-4-methyl-anilino)-2-(2-keto-2-methoxy-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20BrN3O4S MolecularWeight: 478.3595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NC3=C(C=C(C=C3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NC3=C(C=C(C=C3)C)Br)C

InChI

InChI=1S/C20H20BrN3O4S/c1-5-28-20(26)17-11(3)16-18(22-13-7-6-10(2)8-12(13)21)23-14(9-15(25)27-4)24-19(16)29-17/h6-8H,5,9H2,1-4H3,(H,22,23,24)