2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentane-1,5-diol

Systemtic Name: 2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentane-1,5-diol Openeye Name: 2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentane-1,5-diol CAS Name: 2-(hydroxymethyl)-4-[6-(methylamino)-9-purinyl]pentane-1,5-diol IUPAC Name: 2-(hydroxymethyl)-4-[6-(methylamino)purin-9-yl]pentane-1,5-diol Traditional Name: 2-[6-(methylamino)purin-9-yl]-4-methylol-pentane-1,5-diol Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O3/c1-13-11-10-12(15-6-14-11)17(7-16-10)9(5-20)2-8(3-18)4-19/h6-9,18-20H,2-5H2,1H3,(H,13,14,15)