ethyl 4-(3-methoxypropylamino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(3-methoxypropylamino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-methoxypropylamino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-methoxypropylamino)-5-methyl-2-(1-piperidin-1-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxypropylamino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-methoxypropylamino)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NCCCOC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NCCCOC)C

InChI

InChI=1S/C20H30N4O3S/c1-4-27-20(25)17-14(2)16-18(21-9-8-12-26-3)22-15(23-19(16)28-17)13-24-10-6-5-7-11-24/h4-13H2,1-3H3,(H,21,22,23)/p+1