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

Systemtic Name: 2-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-(methylthio)-N-[3-(4-morpholin-4-iumyl)propyl]-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-(methylthio)-N-(3-morpholin-4-ium-4-ylpropyl)-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H28N5O2S2+ MolecularWeight: 422.58792

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C=C(SC2=N1)C(=O)NCCC[NH+]3CCOCC3)N4CCCC4

Isomeric SMILES

CSC1=NC(=C2C=C(SC2=N1)C(=O)NCCC[NH+]3CCOCC3)N4CCCC4

InChI

InChI=1S/C19H27N5O2S2/c1-27-19-21-16(24-7-2-3-8-24)14-13-15(28-18(14)22-19)17(25)20-5-4-6-23-9-11-26-12-10-23/h13H,2-12H2,1H3,(H,20,25)/p+1