N-[4-[2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]-2-methoxy-phenyl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[4-[2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]-2-methoxy-phenyl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-methoxy-phenyl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[4-[2-(3-hydroxyanilino)-4-pyrimidinyl]-2-methoxyphenyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-methoxyphenyl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-methoxy-phenyl]-N-mesyl-methanesulfonamide Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)O)N(S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)O)N(S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C19H20N4O6S2/c1-29-18-11-13(7-8-17(18)23(30(2,25)26)31(3,27)28)16-9-10-20-19(22-16)21-14-5-4-6-15(24)12-14/h4-12,24H,1-3H3,(H,20,21,22)