4-[5-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-2-methyl-phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-2-methyl-phenyl]sulfonylmorpholine Openeye Name: 4-[5-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-2-methyl-phenyl]sulfonylmorpholine CAS Name: 4-[5-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phthalazinyl]-2-methylphenyl]sulfonylmorpholine IUPAC Name: 4-[5-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-2-methylphenyl]sulfonylmorpholine Traditional Name: 4-[5-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phthalazin-1-yl]-2-methyl-phenyl]sulfonylmorpholine Formula: C25H25N5O3S2 MolecularWeight: 507.6277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC(=CC(=N4)C)C)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC(=CC(=N4)C)C)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H25N5O3S2/c1-16-8-9-19(15-22(16)35(31,32)30-10-12-33-13-11-30)23-20-6-4-5-7-21(20)24(29-28-23)34-25-26-17(2)14-18(3)27-25/h4-9,14-15H,10-13H2,1-3H3