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

Systemtic Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Openeye Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide CAS Name: N-[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]benzenesulfonamide IUPAC Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Traditional Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NS(=O)(=O)C3=CC=CC=C3)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NS(=O)(=O)C3=CC=CC=C3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C19H22N4O3S2/c1-13-14(2)27-19-17(13)18(22-28(24,25)15-6-4-3-5-7-15)20-16(21-19)12-23-8-10-26-11-9-23/h3-7H,8-12H2,1-2H3,(H,20,21,22)/p+1