[2-(6-aminopurin-9-yl)-4-methoxy-4-oxidanylidene-butoxy]methylphosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-4-methoxy-4-oxidanylidene-butoxy]methylphosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-4-methoxy-4-oxo-butoxy]methylphosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-4-methoxy-4-oxobutoxy]methylphosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-4-methoxy-4-oxobutoxy]methylphosphonic acid Traditional Name: (2-adenin-9-yl-4-keto-4-methoxy-butoxy)methylphosphonic acid Formula: C11H16N5O6P MolecularWeight: 345.248401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(COCP(=O)(O)O)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

COC(=O)CC(COCP(=O)(O)O)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C11H16N5O6P/c1-21-8(17)2-7(3-22-6-23(18,19)20)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14)(H2,18,19,20)