N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H25N4O5S2+ MolecularWeight: 477.577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C[NH+]5CCOCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C[NH+]5CCOCC5)C

InChI

InChI=1S/C21H24N4O5S2/c1-13-14(2)31-21-19(13)20(22-18(23-21)12-25-5-7-28-8-6-25)24-32(26,27)15-3-4-16-17(11-15)30-10-9-29-16/h3-4,11H,5-10,12H2,1-2H3,(H,22,23,24)/p+1