2-[2-(2-azanyl-6-butoxy-purin-9-yl)ethyl]propane-1,3-diol

Systemtic Name: 2-[2-(2-azanyl-6-butoxy-purin-9-yl)ethyl]propane-1,3-diol Openeye Name: 2-[2-(2-amino-6-butoxy-purin-9-yl)ethyl]propane-1,3-diol CAS Name: 2-[2-(2-amino-6-butoxy-9-purinyl)ethyl]propane-1,3-diol IUPAC Name: 2-[2-(2-amino-6-butoxypurin-9-yl)ethyl]propane-1,3-diol Traditional Name: 2-[2-(2-amino-6-butoxy-purin-9-yl)ethyl]propane-1,3-diol Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC2=C1N=CN2CCC(CO)CO)N

Isomeric SMILES

CCCCOC1=NC(=NC2=C1N=CN2CCC(CO)CO)N

InChI

InChI=1S/C14H23N5O3/c1-2-3-6-22-13-11-12(17-14(15)18-13)19(9-16-11)5-4-10(7-20)8-21/h9-10,20-21H,2-8H2,1H3,(H2,15,17,18)