4-oxidanylidene-3-[2-oxidanylidene-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[4-(2-pyrimidinylsulfamoyl)anilino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[4-(2-pyrimidylsulfamoyl)anilino]ethyl]phthalazine-1-carboxamide Formula: C21H17N7O5S MolecularWeight: 479.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C(=O)N

InChI

InChI=1S/C21H17N7O5S/c22-19(30)18-15-4-1-2-5-16(15)20(31)28(26-18)12-17(29)25-13-6-8-14(9-7-13)34(32,33)27-21-23-10-3-11-24-21/h1-11H,12H2,(H2,22,30)(H,25,29)(H,23,24,27)