2-(6-aminopurin-9-yl)oxyethoxymethyl-phenoxy-phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-phenoxy-phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-phenoxy-phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-phenoxyphosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-phenoxyphosphinic acid Traditional Name: 2-adenin-9-yloxyethoxymethyl(phenoxy)phosphinic acid Formula: C14H16N5O5P MolecularWeight: 365.281101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C14H16N5O5P/c15-13-12-14(17-8-16-13)19(9-18-12)23-7-6-22-10-25(20,21)24-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21)(H2,15,16,17)