ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(2-methoxy-2-oxo-ethyl)-5-methyl-4-(3-quinolylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-quinolinylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-methyl-4-(3-quinolylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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=CC4=CC=CC=C4N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NC3=CC4=CC=CC=C4N=C3)C

InChI

InChI=1S/C22H20N4O4S/c1-4-30-22(28)19-12(2)18-20(25-16(10-17(27)29-3)26-21(18)31-19)24-14-9-13-7-5-6-8-15(13)23-11-14/h5-9,11H,4,10H2,1-3H3,(H,24,25,26)