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

Systemtic Name: 2-[2-[6-(3-methylbutylamino)purin-9-yl]ethyl]propane-1,3-diol Openeye Name: 2-[2-[6-(isopentylamino)purin-9-yl]ethyl]propane-1,3-diol CAS Name: 2-[2-[6-(3-methylbutylamino)-9-purinyl]ethyl]propane-1,3-diol IUPAC Name: 2-[2-[6-(3-methylbutylamino)purin-9-yl]ethyl]propane-1,3-diol Traditional Name: 2-[2-[6-(isoamylamino)purin-9-yl]ethyl]propane-1,3-diol Formula: C15H25N5O2 MolecularWeight: 307.3913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC2=C1N=CN2CCC(CO)CO

Isomeric SMILES

CC(C)CCNC1=NC=NC2=C1N=CN2CCC(CO)CO

InChI

InChI=1S/C15H25N5O2/c1-11(2)3-5-16-14-13-15(18-9-17-14)20(10-19-13)6-4-12(7-21)8-22/h9-12,21-22H,3-8H2,1-2H3,(H,16,17,18)