(2S)-3-[6-(3-methylbut-2-enylamino)purin-9-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[6-(3-methylbut-2-enylamino)purin-9-yl]propane-1,2-diol Openeye Name: (2S)-3-[6-(3-methylbut-2-enylamino)purin-9-yl]propane-1,2-diol CAS Name: (2S)-3-[6-(3-methylbut-2-enylamino)-9-purinyl]propane-1,2-diol IUPAC Name: (2S)-3-[6-(3-methylbut-2-enylamino)purin-9-yl]propane-1,2-diol Traditional Name: (2S)-3-[6-(3-methylbut-2-enylamino)purin-9-yl]propane-1,2-diol Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2CC(CO)O)C

Isomeric SMILES

CC(=CCNC1=NC=NC2=C1N=CN2C[C@@H](CO)O)C

InChI

InChI=1S/C13H19N5O2/c1-9(2)3-4-14-12-11-13(16-7-15-12)18(8-17-11)5-10(20)6-19/h3,7-8,10,19-20H,4-6H2,1-2H3,(H,14,15,16)/t10-/m0/s1