2-[6-(methylamino)purin-9-yl]ethyl dihydrogen phosphate

Systemtic Name: 2-[6-(methylamino)purin-9-yl]ethyl dihydrogen phosphate Openeye Name: 2-[6-(methylamino)purin-9-yl]ethyl dihydrogen phosphate CAS Name: 2-[6-(methylamino)-9-purinyl]ethyl dihydrogen phosphate IUPAC Name: 2-[6-(methylamino)purin-9-yl]ethyl dihydrogen phosphate Traditional Name: 2-[6-(methylamino)purin-9-yl]ethyl dihydrogen phosphate Formula: C8H12N5O4P MolecularWeight: 273.185741

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CCOP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CCOP(=O)(O)O

InChI

InChI=1S/C8H12N5O4P/c1-9-7-6-8(11-4-10-7)13(5-12-6)2-3-17-18(14,15)16/h4-5H,2-3H2,1H3,(H,9,10,11)(H2,14,15,16)