N-[3-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propyl-methanesulfonamide

Systemtic Name: N-[3-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propyl-methanesulfonamide Openeye Name: N-[3-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propyl-methanesulfonamide CAS Name: N-[3-[[6-(2-ethoxyphenyl)-4-pyrimidinyl]amino]phenyl]-N-propylmethanesulfonamide IUPAC Name: N-[3-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide Traditional Name: N-[3-[(6-o-phenetylpyrimidin-4-yl)amino]phenyl]-N-propyl-methanesulfonamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3OCC)S(=O)(=O)C

Isomeric SMILES

CCCN(C1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3OCC)S(=O)(=O)C

InChI

InChI=1S/C22H26N4O3S/c1-4-13-26(30(3,27)28)18-10-8-9-17(14-18)25-22-15-20(23-16-24-22)19-11-6-7-12-21(19)29-5-2/h6-12,14-16H,4-5,13H2,1-3H3,(H,23,24,25)