N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(4-methyl-1-phthalazinyl)amino]benzenesulfonamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=NC(=N4)OC)OC

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=NC(=N4)OC)OC

InChI

InChI=1S/C21H20N6O4S/c1-13-16-6-4-5-7-17(16)20(26-25-13)22-14-8-10-15(11-9-14)32(28,29)27-18-12-19(30-2)24-21(23-18)31-3/h4-12H,1-3H3,(H,22,26)(H,23,24,27)