2-[(E)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propane-1,3-diol

Systemtic Name: 2-[(E)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propane-1,3-diol Openeye Name: 2-[(E)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propane-1,3-diol CAS Name: 2-[(E)-4-[6-(methylamino)-9-purinyl]but-2-enyl]propane-1,3-diol IUPAC Name: 2-[(E)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propane-1,3-diol Traditional Name: 2-[(E)-4-[6-(methylamino)purin-9-yl]but-2-enyl]propane-1,3-diol Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC=CCC(CO)CO

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C/C=C/CC(CO)CO

InChI

InChI=1S/C13H19N5O2/c1-14-12-11-13(16-8-15-12)18(9-17-11)5-3-2-4-10(6-19)7-20/h2-3,8-10,19-20H,4-7H2,1H3,(H,14,15,16)/b3-2+