[1-(6-azanyl-2-methyl-purin-9-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(6-azanyl-2-methyl-purin-9-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(6-amino-2-methyl-purin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-(6-amino-2-methyl-9-purinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(6-amino-2-methylpurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(6-amino-2-methyl-purin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C10H16N5O5P MolecularWeight: 317.238301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2CC(CO)OCP(=O)(O)O

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2CC(CO)OCP(=O)(O)O

InChI

InChI=1S/C10H16N5O5P/c1-6-13-9(11)8-10(14-6)15(4-12-8)2-7(3-16)20-5-21(17,18)19/h4,7,16H,2-3,5H2,1H3,(H2,11,13,14)(H2,17,18,19)