[2-[2-chloranyl-6-(methylamino)purin-9-yl]-3-phosphonooxy-propyl] dihydrogen phosphate

Systemtic Name: [2-[2-chloranyl-6-(methylamino)purin-9-yl]-3-phosphonooxy-propyl] dihydrogen phosphate Openeye Name: [2-[2-chloro-6-(methylamino)purin-9-yl]-3-phosphonooxy-propyl] dihydrogen phosphate CAS Name: [2-[2-chloro-6-(methylamino)-9-purinyl]-3-phosphonooxypropyl] dihydrogen phosphate IUPAC Name: [2-[2-chloro-6-(methylamino)purin-9-yl]-3-phosphonooxypropyl] dihydrogen phosphate Traditional Name: [2-[2-chloro-6-(methylamino)purin-9-yl]-3-phosphonooxy-propyl] dihydrogen phosphate Formula: C9H14ClN5O8P2 MolecularWeight: 417.636682

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C(COP(=O)(O)O)COP(=O)(O)O)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C(COP(=O)(O)O)COP(=O)(O)O)Cl

InChI

InChI=1S/C9H14ClN5O8P2/c1-11-7-6-8(14-9(10)13-7)15(4-12-6)5(2-22-24(16,17)18)3-23-25(19,20)21/h4-5H,2-3H2,1H3,(H,11,13,14)(H2,16,17,18)(H2,19,20,21)