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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC(=CC=C3)OCC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)N(C1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC(=CC=C3)OCC4=CC=CC=C4)S(=O)(=O)C

InChI

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