ethyl 5-methyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCCC[NH+]3CCC(CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCCC[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C19H28N4O2S/c1-4-25-19(24)16-14(3)15-17(21-12-22-18(15)26-16)20-8-5-9-23-10-6-13(2)7-11-23/h12-13H,4-11H2,1-3H3,(H,20,21,22)/p+1