2-(6-aminopurin-9-yl)ethoxymethyl-[(4-nitrophenyl)methoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(4-nitrophenyl)methoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(4-nitrophenyl)methoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(4-nitrophenyl)methoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(4-nitrophenyl)methoxy]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-(4-nitrobenzyl)oxy-phosphinic acid Formula: C15H17N6O6P MolecularWeight: 408.305841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N6O6P/c16-14-13-15(18-8-17-14)20(9-19-13)5-6-26-10-28(24,25)27-7-11-1-3-12(4-2-11)21(22)23/h1-4,8-9H,5-7,10H2,(H,24,25)(H2,16,17,18)