(2,6-dimethoxypyrimidin-4-yl)-[4-[(4-pyridin-1-ium-3-yl-1,3-thiazol-2-yl)amino]phenyl]sulfonyl-azanide

Systemtic Name: (2,6-dimethoxypyrimidin-4-yl)-[4-[(4-pyridin-1-ium-3-yl-1,3-thiazol-2-yl)amino]phenyl]sulfonyl-azanide Openeye Name: (2,6-dimethoxypyrimidin-4-yl)-[4-[(4-pyridin-1-ium-3-ylthiazol-2-yl)amino]phenyl]sulfonyl-azanide CAS Name: (2,6-dimethoxy-4-pyrimidinyl)-[4-[[4-(3-pyridin-1-iumyl)-2-thiazolyl]amino]phenyl]sulfonylazanide IUPAC Name: (2,6-dimethoxypyrimidin-4-yl)-[4-[(4-pyridin-1-ium-3-yl-1,3-thiazol-2-yl)amino]phenyl]sulfonylazanide Traditional Name: (2,6-dimethoxypyrimidin-4-yl)-[4-[(4-pyridin-1-ium-3-ylthiazol-2-yl)amino]phenyl]sulfonyl-azanide Formula: C20H18N6O4S2 MolecularWeight: 470.52472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=C[NH+]=CC=C4)OC

Isomeric SMILES

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=C[NH+]=CC=C4)OC

InChI

InChI=1S/C20H17N6O4S2/c1-29-18-10-17(24-19(25-18)30-2)26-32(27,28)15-7-5-14(6-8-15)22-20-23-16(12-31-20)13-4-3-9-21-11-13/h3-12H,1-2H3,(H-,22,23,24,25,26)/q-1/p+1