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

Systemtic Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-1-phenyl-methanesulfonamide CAS Name: N-[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]-1-phenylmethanesulfonamide IUPAC Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-1-phenylmethanesulfonamide Traditional Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-1-phenyl-methanesulfonamide Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NS(=O)(=O)CC3=CC=CC=C3)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NS(=O)(=O)CC3=CC=CC=C3)C[NH+]4CCCC4)C

InChI

InChI=1S/C20H24N4O2S2/c1-14-15(2)27-20-18(14)19(21-17(22-20)12-24-10-6-7-11-24)23-28(25,26)13-16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,21,22,23)/p+1