N-[4-[[6-(3,4-dimethoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[6-(3,4-dimethoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[4-[[6-(3,4-dimethoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]phenyl]methanesulfonamide CAS Name: N-[4-[[6-(3,4-dimethoxyphenyl)-2-methyl-4-pyrimidinyl]amino]phenyl]methanesulfonamide IUPAC Name: N-[4-[[6-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[4-[[6-(3,4-dimethoxyphenyl)-2-methyl-pyrimidin-4-yl]amino]phenyl]methanesulfonamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22N4O4S/c1-13-21-17(14-5-10-18(27-2)19(11-14)28-3)12-20(22-13)23-15-6-8-16(9-7-15)24-29(4,25)26/h5-12,24H,1-4H3,(H,21,22,23)