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

Systemtic Name: ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(1-ethoxycarbonyl-4-piperidyl)amino]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(1-ethoxycarbonyl-4-piperidinyl)amino]-5-methyl-2-(1-piperidin-1-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(1-carbethoxy-4-piperidyl)amino]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H36N5O4S+ MolecularWeight: 490.63874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NC4CCN(CC4)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+]3CCCCC3)NC4CCN(CC4)C(=O)OCC)C

InChI

InChI=1S/C24H35N5O4S/c1-4-32-23(30)20-16(3)19-21(25-17-9-13-29(14-10-17)24(31)33-5-2)26-18(27-22(19)34-20)15-28-11-7-6-8-12-28/h17H,4-15H2,1-3H3,(H,25,26,27)/p+1