5-methyl-4-(2-methylpiperidin-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-(2-methylpiperidin-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-4-(2-methyl-1-piperidyl)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-(2-methyl-1-piperidinyl)-N-[3-(4-morpholin-4-iumyl)propyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-(2-methylpiperidin-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-4-(2-methylpiperidino)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)NCCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1CCCCN1C2=C3C(=C(SC3=NC=N2)C(=O)NCCC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H31N5O2S/c1-15-6-3-4-9-26(15)19-17-16(2)18(29-21(17)24-14-23-19)20(27)22-7-5-8-25-10-12-28-13-11-25/h14-15H,3-13H2,1-2H3,(H,22,27)/p+1