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2-(6-aminopurin-9-yl)oxyethoxymethyl-(4-bromanylphenoxy)phosphinic acid

2-(6-aminopurin-9-yl)oxyethoxymethyl-(4-bromanylphenoxy)phosphinic acid

Systemtic Name:2-(6-aminopurin-9-yl)oxyethoxymethyl-(4-bromanylphenoxy)phosphinic acid
Openeye Name:2-(6-aminopurin-9-yl)oxyethoxymethyl-(4-bromophenoxy)phosphinic acid
CAS Name:2-(6-aminopurin-9-yl)oxyethoxymethyl-(4-bromophenoxy)phosphinic acid
IUPAC Name:2-(6-aminopurin-9-yl)oxyethoxymethyl-(4-bromophenoxy)phosphinic acid
Traditional Name:2-adenin-9-yloxyethoxymethyl-(4-bromophenoxy)phosphinic acid
Formula: C14H15BrN5O5P
MolecularWeight: 444.177161
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O)Br


Isomeric SMILES

C1=CC(=CC=C1OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O)Br


InChI

InChI=1S/C14H15BrN5O5P/c15-10-1-3-11(4-2-10)25-26(21,22)9-23-5-6-24-20-8-19-12-13(16)17-7-18-14(12)20/h1-4,7-8H,5-6,9H2,(H,21,22)(H2,16,17,18)


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