2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]hexan-1-ol

Systemtic Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]hexan-1-ol Openeye Name: 2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]hexan-1-ol CAS Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-hexanol IUPAC Name: 2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]hexan-1-ol Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]hexan-1-ol Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

Isomeric SMILES

CCCCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

InChI

InChI=1S/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)