2-(6-aminopurin-9-yl)oxyethoxymethyl-[(3-chloranyl-2,2-dimethyl-propanoyl)oxymethoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[(3-chloranyl-2,2-dimethyl-propanoyl)oxymethoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[(3-chloro-2,2-dimethyl-propanoyl)oxymethoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[(3-chloro-2,2-dimethyl-1-oxopropoxy)methoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[(3-chloro-2,2-dimethylpropanoyl)oxymethoxy]phosphinic acid Traditional Name: 2-adenin-9-yloxyethoxymethyl-[(3-chloro-2,2-dimethyl-propanoyl)oxymethoxy]phosphinic acid Formula: C14H21ClN5O7P MolecularWeight: 437.772601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)OCOP(=O)(COCCON1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CC(C)(CCl)C(=O)OCOP(=O)(COCCON1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C14H21ClN5O7P/c1-14(2,5-15)13(21)25-8-27-28(22,23)9-24-3-4-26-20-7-19-10-11(16)17-6-18-12(10)20/h6-7H,3-5,8-9H2,1-2H3,(H,22,23)(H2,16,17,18)