[5-[6-azanyl-8-(6-azanylhexylamino)purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-[6-azanyl-8-(6-azanylhexylamino)purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[6-amino-8-(6-aminohexylamino)-9-purinyl]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C23H31N7O4 MolecularWeight: 469.53674

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2NCCCCCCN)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2NCCCCCCN)COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H31N7O4/c24-10-6-1-2-7-11-26-23-29-19-20(25)27-14-28-21(19)30(23)18-12-16(31)17(34-18)13-33-22(32)15-8-4-3-5-9-15/h3-5,8-9,14,16-18,31H,1-2,6-7,10-13,24H2,(H,26,29)(H2,25,27,28)