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

Systemtic Name: N-[3-[[6-(2-phenylmethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propyl-methanesulfonamide Openeye Name: N-[3-[[6-(2-benzyloxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propyl-methanesulfonamide CAS Name: N-[3-[[6-(2-phenylmethoxyphenyl)-4-pyrimidinyl]amino]phenyl]-N-propylmethanesulfonamide IUPAC Name: N-[3-[[6-(2-phenylmethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide Traditional Name: N-[3-[[6-(2-benzoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propyl-methanesulfonamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3OCC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCCN(C1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3OCC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C27H28N4O3S/c1-3-16-31(35(2,32)33)23-13-9-12-22(17-23)30-27-18-25(28-20-29-27)24-14-7-8-15-26(24)34-19-21-10-5-4-6-11-21/h4-15,17-18,20H,3,16,19H2,1-2H3,(H,28,29,30)