[1-(6-aminopurin-9-yl)-3-propan-2-yloxy-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(6-aminopurin-9-yl)-3-propan-2-yloxy-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(6-aminopurin-9-yl)methyl]-2-isopropoxy-ethoxy]methylphosphonic acid CAS Name: [1-(6-aminopurin-9-yl)-3-propan-2-yloxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(6-aminopurin-9-yl)-3-propan-2-yloxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-(adenin-9-ylmethyl)-2-isopropoxy-ethoxy]methylphosphonic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

Isomeric SMILES

CC(C)OCC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

InChI

InChI=1S/C12H20N5O5P/c1-8(2)21-4-9(22-7-23(18,19)20)3-17-6-16-10-11(13)14-5-15-12(10)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14,15)(H2,18,19,20)