5-[6-(heptylamino)-2-phenylmethoxy-purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: 5-[6-(heptylamino)-2-phenylmethoxy-purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Openeye Name: 5-[2-benzyloxy-6-(heptylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: 5-[6-(heptylamino)-2-phenylmethoxy-9-purinyl]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: 5-[6-(heptylamino)-2-phenylmethoxypurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Traditional Name: 5-[2-benzoxy-6-(heptylamino)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCNC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H33N5O4/c1-2-3-4-5-9-12-25-22-21-23(28-24(27-22)32-15-17-10-7-6-8-11-17)29(16-26-21)20-13-18(31)19(14-30)33-20/h6-8,10-11,16,18-20,30-31H,2-5,9,12-15H2,1H3,(H,25,27,28)