4-[2-[[2-(5-methylsulfonylpyridin-3-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol

Systemtic Name: 4-[2-[[2-(5-methylsulfonylpyridin-3-yl)-9-propan-2-yl-purin-6-yl]amino]ethyl]phenol Openeye Name: 4-[2-[[9-isopropyl-2-(5-methylsulfonyl-3-pyridyl)purin-6-yl]amino]ethyl]phenol CAS Name: 4-[2-[[2-(5-methylsulfonyl-3-pyridinyl)-9-propan-2-yl-6-purinyl]amino]ethyl]phenol IUPAC Name: 4-[2-[[2-(5-methylsulfonylpyridin-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol Traditional Name: 4-[2-[[9-isopropyl-2-(5-mesyl-3-pyridyl)purin-6-yl]amino]ethyl]phenol Formula: C22H24N6O3S MolecularWeight: 452.52936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CC(=CN=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=CC(=CN=C4)S(=O)(=O)C

InChI

InChI=1S/C22H24N6O3S/c1-14(2)28-13-25-19-21(24-9-8-15-4-6-17(29)7-5-15)26-20(27-22(19)28)16-10-18(12-23-11-16)32(3,30)31/h4-7,10-14,29H,8-9H2,1-3H3,(H,24,26,27)