N-[6-chloranyl-5-(2-methoxyphenoxy)-2-(1-oxidanylidenepyridin-1-ium-4-ylidene)-1H-pyrimidin-4-yl]methanesulfonamide

Systemtic Name: N-[6-chloranyl-5-(2-methoxyphenoxy)-2-(1-oxidanylidenepyridin-1-ium-4-ylidene)-1H-pyrimidin-4-yl]methanesulfonamide Openeye Name: N-[6-chloro-5-(2-methoxyphenoxy)-2-(1-oxopyridin-1-ium-4-ylidene)-1H-pyrimidin-4-yl]methanesulfonamide CAS Name: N-[6-chloro-5-(2-methoxyphenoxy)-2-(1-oxo-4-pyridin-1-iumylidene)-1H-pyrimidin-4-yl]methanesulfonamide IUPAC Name: N-[6-chloro-5-(2-methoxyphenoxy)-2-(1-oxopyridin-1-ium-4-ylidene)-1H-pyrimidin-4-yl]methanesulfonamide Traditional Name: N-[6-chloro-2-(1-ketopyridin-1-ium-4-ylidene)-5-(2-methoxyphenoxy)-1H-pyrimidin-4-yl]methanesulfonamide Formula: C17H16ClN4O5S+ MolecularWeight: 423.85074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(NC(=C3C=C[N+](=O)C=C3)N=C2NS(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC=CC=C1OC2=C(NC(=C3C=C[N+](=O)C=C3)N=C2NS(=O)(=O)C)Cl

InChI

InChI=1S/C17H16ClN4O5S/c1-26-12-5-3-4-6-13(12)27-14-15(18)19-16(11-7-9-22(23)10-8-11)20-17(14)21-28(2,24)25/h3-10,19H,1-2H3,(H,20,21)/q+1