methyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]amino]phthalazine-1-carboxylate

Systemtic Name: methyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]amino]phthalazine-1-carboxylate Openeye Name: methyl 4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]phthalazine-1-carboxylate CAS Name: 4-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]phthalazine-1-carboxylate Traditional Name: 4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]phthalazine-1-carboxylic acid methyl ester Formula: C22H20N6O6S MolecularWeight: 496.4958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C(=O)OC)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C(=O)OC)OC

InChI

InChI=1S/C22H20N6O6S/c1-32-18-12-17(24-22(25-18)34-3)28-35(30,31)14-10-8-13(9-11-14)23-20-16-7-5-4-6-15(16)19(26-27-20)21(29)33-2/h4-12H,1-3H3,(H,23,27)(H,24,25,28)