(6-azanyl-2-butyl-4-oxidanyl-7H-purin-3-yl)oxymethylphosphonic acid

Systemtic Name: (6-azanyl-2-butyl-4-oxidanyl-7H-purin-3-yl)oxymethylphosphonic acid Openeye Name: (6-amino-2-butyl-4-hydroxy-7H-purin-3-yl)oxymethylphosphonic acid CAS Name: (6-amino-2-butyl-4-hydroxy-7H-purin-3-yl)oxymethylphosphonic acid IUPAC Name: (6-amino-2-butyl-4-hydroxy-7H-purin-3-yl)oxymethylphosphonic acid Traditional Name: (6-amino-2-butyl-4-hydroxy-7H-purin-3-yl)oxymethylphosphonic acid Formula: C10H18N5O5P MolecularWeight: 319.254181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C2C(N1OCP(=O)(O)O)(N=CN2)O)N

Isomeric SMILES

CCCCC1=NC(=C2C(N1OCP(=O)(O)O)(N=CN2)O)N

InChI

InChI=1S/C10H18N5O5P/c1-2-3-4-7-14-9(11)8-10(16,13-5-12-8)15(7)20-6-21(17,18)19/h5,16H,2-4,6,11H2,1H3,(H,12,13)(H2,17,18,19)