2-(2-azanyl-1-piperidin-1-yl-2H-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-1-piperidin-1-yl-2H-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-1-(1-piperidyl)-2H-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-1-(1-piperidinyl)-2H-purin-9-yl]ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-1-piperidin-1-yl-2H-purin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-1-piperidino-2H-purin-9-yl)ethoxymethylphosphonic acid Formula: C13H23N6O4P MolecularWeight: 358.333281

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N2C=C3C(=NC2N)N(C=N3)CCOCP(=O)(O)O

Isomeric SMILES

C1CCN(CC1)N2C=C3C(=NC2N)N(C=N3)CCOCP(=O)(O)O

InChI

InChI=1S/C13H23N6O4P/c14-13-16-12-11(8-19(13)18-4-2-1-3-5-18)15-9-17(12)6-7-23-10-24(20,21)22/h8-9,13H,1-7,10,14H2,(H2,20,21,22)