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

Systemtic Name: 2-ethyl-5-[6-(heptylamino)-2-phenylmethoxy-purin-9-yl]oxolan-3-ol Openeye Name: 5-[2-benzyloxy-6-(heptylamino)purin-9-yl]-2-ethyl-tetrahydrofuran-3-ol CAS Name: 2-ethyl-5-[6-(heptylamino)-2-phenylmethoxy-9-purinyl]-3-oxolanol IUPAC Name: 2-ethyl-5-[6-(heptylamino)-2-phenylmethoxypurin-9-yl]oxolan-3-ol Traditional Name: 5-[2-benzoxy-6-(heptylamino)purin-9-yl]-2-ethyl-tetrahydrofuran-3-ol Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O3/c1-3-5-6-7-11-14-26-23-22-24(29-25(28-23)32-16-18-12-9-8-10-13-18)30(17-27-22)21-15-19(31)20(4-2)33-21/h8-10,12-13,17,19-21,31H,3-7,11,14-16H2,1-2H3,(H,26,28,29)