(4-acetyloxyphenyl)methoxy-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid

Systemtic Name: (4-acetyloxyphenyl)methoxy-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid Openeye Name: (4-acetoxyphenyl)methoxy-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid CAS Name: (4-acetyloxyphenyl)methoxy-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid IUPAC Name: (4-acetyloxyphenyl)methoxy-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid Traditional Name: (4-acetoxybenzyl)oxy-(2-adenin-9-yloxyethoxymethyl)phosphinic acid Formula: C17H20N5O7P MolecularWeight: 437.343761

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)COP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)COP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C17H20N5O7P/c1-12(23)29-14-4-2-13(3-5-14)8-28-30(24,25)11-26-6-7-27-22-10-21-15-16(18)19-9-20-17(15)22/h2-5,9-10H,6-8,11H2,1H3,(H,24,25)(H2,18,19,20)