3-[[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-ethyl-benzamide

Systemtic Name: 3-[[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-ethyl-benzamide Openeye Name: 3-[[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-ethyl-benzamide CAS Name: 3-[[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-ethylbenzamide Traditional Name: 3-[[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-ethyl-benzamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCCC4)C)C

InChI

InChI=1S/C22H27N5OS/c1-4-23-21(28)16-8-7-9-17(12-16)24-20-19-14(2)15(3)29-22(19)26-18(25-20)13-27-10-5-6-11-27/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,23,28)(H,24,25,26)/p+1