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

Systemtic Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methyl-benzenesulfonamide Formula: C20H25N4O3S2+ MolecularWeight: 433.5675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C)C

InChI

InChI=1S/C20H24N4O3S2/c1-13-4-6-16(7-5-13)29(25,26)23-19-18-14(2)15(3)28-20(18)22-17(21-19)12-24-8-10-27-11-9-24/h4-7H,8-12H2,1-3H3,(H,21,22,23)/p+1