1-(3-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea

Systemtic Name: 1-(3-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea Openeye Name: 1-(3-chloro-1-oxido-pyridin-1-ium-2-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea CAS Name: 1-[(3-chloro-1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-(4,6-dimethoxy-2-pyrimidinyl)urea IUPAC Name: 1-(3-chloro-1-oxidopyridin-1-ium-2-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea Traditional Name: 1-(3-chloro-1-oxido-pyridin-1-ium-2-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea Formula: C12H12ClN5O6S MolecularWeight: 389.77158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=[N+]2[O-])Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=[N+]2[O-])Cl)OC

InChI

InChI=1S/C12H12ClN5O6S/c1-23-8-6-9(24-2)15-11(14-8)16-12(19)17-25(21,22)10-7(13)4-3-5-18(10)20/h3-6H,1-2H3,(H2,14,15,16,17,19)