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

Systemtic Name: [1-[2,6-bis(azanyl)purin-9-yl]oxy-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(2,6-diaminopurin-9-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-[(2,6-diamino-9-purinyl)oxy]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(2,6-diaminopurin-9-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(2,6-diaminopurin-9-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C9H15N6O6P MolecularWeight: 334.225761

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OCC(CO)OCP(=O)(O)O)N=C(N=C2N)N

Isomeric SMILES

C1=NC2=C(N1OCC(CO)OCP(=O)(O)O)N=C(N=C2N)N

InChI

InChI=1S/C9H15N6O6P/c10-7-6-8(14-9(11)13-7)15(3-12-6)21-2-5(1-16)20-4-22(17,18)19/h3,5,16H,1-2,4H2,(H2,17,18,19)(H4,10,11,13,14)