ethyl 2,5-dimethyl-4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[(6-morpholinopyridin-1-ium-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]amino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[(6-morpholinopyridin-1-ium-3-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H24N5O3S+ MolecularWeight: 414.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=C[NH+]=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=C[NH+]=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C20H23N5O3S/c1-4-28-20(26)17-12(2)16-18(22-13(3)23-19(16)29-17)24-14-5-6-15(21-11-14)25-7-9-27-10-8-25/h5-6,11H,4,7-10H2,1-3H3,(H,22,23,24)/p+1