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

Systemtic Name: 6-[(6-azanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]hexylphosphonic acid Openeye Name: 6-[(6-amino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]hexylphosphonic acid CAS Name: 6-[(6-amino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]hexylphosphonic acid IUPAC Name: 6-[(6-amino-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]hexylphosphonic acid Traditional Name: 6-[(6-amino-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]hexylphosphonic acid Formula: C12H20N5O5P MolecularWeight: 345.291461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N5O5P/c13-12-15-10-9(11(18)16-12)7-14-17(10)8-22-5-3-1-2-4-6-23(19,20)21/h7,14H,1-6,8H2,(H2,13,16,18)(H2,19,20,21)