ethyl 2,5-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[3-(4-morpholin-4-iumyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C18H26N4O3S/c1-4-25-18(23)15-12(2)14-16(20-13(3)21-17(14)26-15)19-6-5-7-22-8-10-24-11-9-22/h4-11H2,1-3H3,(H,19,20,21)/p+1