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

Systemtic Name: 2-methyl-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-methyl-hexan-3-ol CAS Name: 2-methyl-4-[[9-propan-2-yl-6-(2-pyridinylmethylamino)-2-purinyl]amino]-3-hexanol IUPAC Name: 2-methyl-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-methyl-hexan-3-ol Formula: C21H31N7O MolecularWeight: 397.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)