N-(furan-2-ylmethyl)-9-[6-[6-(furan-2-ylmethylamino)purin-9-yl]hexyl]purin-6-amine

Systemtic Name: N-(furan-2-ylmethyl)-9-[6-[6-(furan-2-ylmethylamino)purin-9-yl]hexyl]purin-6-amine Openeye Name: N-(2-furylmethyl)-9-[6-[6-(2-furylmethylamino)purin-9-yl]hexyl]purin-6-amine CAS Name: N-(2-furanylmethyl)-9-[6-[6-(2-furanylmethylamino)-9-purinyl]hexyl]-6-purinamine IUPAC Name: N-(furan-2-ylmethyl)-9-[6-[6-(furan-2-ylmethylamino)purin-9-yl]hexyl]purin-6-amine Traditional Name: 2-furfuryl-[9-[6-[6-(2-furfurylamino)purin-9-yl]hexyl]purin-6-yl]amine Formula: C26H28N10O2 MolecularWeight: 512.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=NC3=C2N=CN3CCCCCCN4C=NC5=C4N=CN=C5NCC6=CC=CO6

Isomeric SMILES

C1=COC(=C1)CNC2=NC=NC3=C2N=CN3CCCCCCN4C=NC5=C4N=CN=C5NCC6=CC=CO6

InChI

InChI=1S/C26H28N10O2/c1(3-9-35-17-33-21-23(29-15-31-25(21)35)27-13-19-7-5-11-37-19)2-4-10-36-18-34-22-24(30-16-32-26(22)36)28-14-20-8-6-12-38-20/h5-8,11-12,15-18H,1-4,9-10,13-14H2,(H,27,29,31)(H,28,30,32)