2-(2-azanyl-6-piperazin-1-yl-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-6-piperazin-1-yl-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-piperazin-1-yl-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(1-piperazinyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-piperazin-1-ylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-6-piperazino-purin-9-yl)ethoxymethylphosphonic acid Formula: C12H20N7O4P MolecularWeight: 357.305461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CN(CCN1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C12H20N7O4P/c13-12-16-10(18-3-1-14-2-4-18)9-11(17-12)19(7-15-9)5-6-23-8-24(20,21)22/h7,14H,1-6,8H2,(H2,13,16,17)(H2,20,21,22)