3-[(2-azanyl-6-chloranyl-8-methyl-purin-3-yl)oxymethoxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(2-azanyl-6-chloranyl-8-methyl-purin-3-yl)oxymethoxy]pentan-3-ylphosphonic acid Openeye Name: [1-[(2-amino-6-chloro-8-methyl-purin-3-yl)oxymethoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(2-amino-6-chloro-8-methyl-3-purinyl)oxymethoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[(2-amino-6-chloro-8-methylpurin-3-yl)oxymethoxy]pentan-3-ylphosphonic acid Traditional Name: [1-[(2-amino-6-chloro-8-methyl-purin-3-yl)oxymethoxy]-1-ethyl-propyl]phosphonic acid Formula: C12H19ClN5O5P MolecularWeight: 379.736521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OCON1C2=NC(=NC2=C(N=C1N)Cl)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OCON1C2=NC(=NC2=C(N=C1N)Cl)C)P(=O)(O)O

InChI

InChI=1S/C12H19ClN5O5P/c1-4-12(5-2,24(19,20)21)22-6-23-18-10-8(15-7(3)16-10)9(13)17-11(18)14/h4-6H2,1-3H3,(H2,14,17)(H2,19,20,21)