8-(6-azanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)octylphosphonic acid

Systemtic Name: 8-(6-azanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)octylphosphonic acid Openeye Name: 8-(6-amino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)octylphosphonic acid CAS Name: 8-(6-amino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)octylphosphonic acid IUPAC Name: 8-(6-amino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)octylphosphonic acid Traditional Name: 8-(6-amino-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)octylphosphonic acid Formula: C13H22N5O4P MolecularWeight: 343.318641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=NC2=O)N)N(N1)CCCCCCCCP(=O)(O)O

Isomeric SMILES

C1=C2C(=NC(=NC2=O)N)N(N1)CCCCCCCCP(=O)(O)O

InChI

InChI=1S/C13H22N5O4P/c14-13-16-11-10(12(19)17-13)9-15-18(11)7-5-3-1-2-4-6-8-23(20,21)22/h9,15H,1-8H2,(H2,14,17,19)(H2,20,21,22)