[5-[6-(6-azanylhexylamino)-2-phenylmethoxy-purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [5-[6-(6-azanylhexylamino)-2-phenylmethoxy-purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] ethanoate Openeye Name: [5-[6-(6-aminohexylamino)-2-benzyloxy-purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-[6-(6-aminohexylamino)-2-phenylmethoxy-9-purinyl]-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-[6-(6-aminohexylamino)-2-phenylmethoxypurin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [5-[6-(6-aminohexylamino)-2-benzoxy-purin-9-yl]-2-methylol-tetrahydrofuran-3-yl] ester Formula: C25H34N6O5 MolecularWeight: 498.57466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CO)N2C=NC3=C2N=C(N=C3NCCCCCCN)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1CC(OC1CO)N2C=NC3=C2N=C(N=C3NCCCCCCN)OCC4=CC=CC=C4

InChI

InChI=1S/C25H34N6O5/c1-17(33)35-19-13-21(36-20(19)14-32)31-16-28-22-23(27-12-8-3-2-7-11-26)29-25(30-24(22)31)34-15-18-9-5-4-6-10-18/h4-6,9-10,16,19-21,32H,2-3,7-8,11-15,26H2,1H3,(H,27,29,30)