5-bromanyl-N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-ethoxy-benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-ethoxy-benzenesulfonamide Openeye Name: 5-bromo-N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-ethoxy-benzenesulfonamide CAS Name: 5-bromo-N-[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]-2-ethoxybenzenesulfonamide IUPAC Name: 5-bromo-N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-ethoxybenzenesulfonamide Traditional Name: 5-bromo-N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-ethoxy-benzenesulfonamide Formula: C21H26BrN4O4S2+ MolecularWeight: 542.48954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

InChI

InChI=1S/C21H25BrN4O4S2/c1-4-30-16-6-5-15(22)11-17(16)32(27,28)25-20-19-13(2)14(3)31-21(19)24-18(23-20)12-26-7-9-29-10-8-26/h5-6,11H,4,7-10,12H2,1-3H3,(H,23,24,25)/p+1