3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]pentane-1,5-diol

Systemtic Name: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]pentane-1,5-diol Openeye Name: 3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]pentane-1,5-diol CAS Name: 3-[[2-chloro-6-(methylamino)-9-purinyl]methyl]pentane-1,5-diol IUPAC Name: 3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]pentane-1,5-diol Traditional Name: 3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]pentane-1,5-diol Formula: C12H18ClN5O2 MolecularWeight: 299.75662

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(CCO)CCO)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(CCO)CCO)Cl

InChI

InChI=1S/C12H18ClN5O2/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)6-8(2-4-19)3-5-20/h7-8,19-20H,2-6H2,1H3,(H,14,16,17)