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

Systemtic Name: [2-[[6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] dihydrogen phosphate Openeye Name: [2-[[6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] dihydrogen phosphate CAS Name: [2-[[6-(methylamino)-9-purinyl]methyl]-3-phosphonooxypropyl] dihydrogen phosphate IUPAC Name: [2-[[6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] dihydrogen phosphate Traditional Name: [2-[[6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] dihydrogen phosphate Formula: C10H17N5O8P2 MolecularWeight: 397.218202

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC(COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CC(COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C10H17N5O8P2/c1-11-9-8-10(13-5-12-9)15(6-14-8)2-7(3-22-24(16,17)18)4-23-25(19,20)21/h5-7H,2-4H2,1H3,(H,11,12,13)(H2,16,17,18)(H2,19,20,21)