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

Systemtic Name: 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]hexan-3-ol CAS Name: 4-[[9-propan-2-yl-6-(2-pyridinylmethylamino)-2-purinyl]amino]-3-hexanol IUPAC Name: 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]hexan-3-ol Formula: C20H29N7O MolecularWeight: 383.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)