6-[[9-[3,4-dipentoxy-5-(pentoxymethyl)oxolan-2-yl]purin-6-yl]amino]hexanamide

Systemtic Name: 6-[[9-[3,4-dipentoxy-5-(pentoxymethyl)oxolan-2-yl]purin-6-yl]amino]hexanamide Openeye Name: 6-[[9-[3,4-dipentoxy-5-(pentoxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]hexanamide CAS Name: 6-[[9-[3,4-dipentoxy-5-(pentoxymethyl)-2-oxolanyl]-6-purinyl]amino]hexanamide IUPAC Name: 6-[[9-[3,4-dipentoxy-5-(pentoxymethyl)oxolan-2-yl]purin-6-yl]amino]hexanamide Traditional Name: 6-[[9-[3,4-diamoxy-5-(amoxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]hexanamide Formula: C31H54N6O5 MolecularWeight: 590.79766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCCCCCC(=O)N)OCCCCC)OCCCCC

Isomeric SMILES

CCCCCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCCCCCC(=O)N)OCCCCC)OCCCCC

InChI

InChI=1S/C31H54N6O5/c1-4-7-13-18-39-21-24-27(40-19-14-8-5-2)28(41-20-15-9-6-3)31(42-24)37-23-36-26-29(34-22-35-30(26)37)33-17-12-10-11-16-25(32)38/h22-24,27-28,31H,4-21H2,1-3H3,(H2,32,38)(H,33,34,35)