methyl 2-[[2,6-bis(chloranyl)-7-methyl-purin-8-yl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[2,6-bis(chloranyl)-7-methyl-purin-8-yl]sulfamoyl]benzoate Openeye Name: methyl 2-[(2,6-dichloro-7-methyl-purin-8-yl)sulfamoyl]benzoate CAS Name: 2-[(2,6-dichloro-7-methyl-8-purinyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,6-dichloro-7-methylpurin-8-yl)sulfamoyl]benzoate Traditional Name: 2-[(2,6-dichloro-7-methyl-purin-8-yl)sulfamoyl]benzoic acid methyl ester Formula: C14H11Cl2N5O4S MolecularWeight: 416.23924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C(N=C2Cl)Cl)N=C1NS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C2=C(N=C(N=C2Cl)Cl)N=C1NS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C14H11Cl2N5O4S/c1-21-9-10(15)17-13(16)18-11(9)19-14(21)20-26(23,24)8-6-4-3-5-7(8)12(22)25-2/h3-6H,1-2H3,(H,17,18,19,20)