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

Systemtic Name: 4-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-methyl-N-[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Formula: C22H23N4O3S3+ MolecularWeight: 487.63802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C22H22N4O3S3/c1-15-4-6-16(7-5-15)32(27,28)25-21-20-17(18-3-2-12-30-18)14-31-22(20)24-19(23-21)13-26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,23,24,25)/p+1