2,2-dimethyl-4-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]hexan-3-ol

Systemtic Name: 2,2-dimethyl-4-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]hexan-3-ol Openeye Name: 4-[[9-isopropyl-6-(2-pyridylmethylamino)purin-2-yl]amino]-2,2-dimethyl-hexan-3-ol CAS Name: 2,2-dimethyl-4-[[9-propan-2-yl-6-(2-pyridinylmethylamino)-2-purinyl]amino]-3-hexanol IUPAC Name: 2,2-dimethyl-4-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]hexan-3-ol Traditional Name: 4-[[9-isopropyl-6-(2-pyridylmethylamino)purin-2-yl]amino]-2,2-dimethyl-hexan-3-ol Formula: C22H33N7O MolecularWeight: 411.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C)(C)C)O)NC1=NC2=C(C(=N1)NCC3=CC=CC=N3)N=CN2C(C)C

Isomeric SMILES

CCC(C(C(C)(C)C)O)NC1=NC2=C(C(=N1)NCC3=CC=CC=N3)N=CN2C(C)C

InChI

InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)