9-[(Z)-4-diethoxyphosphoryl-1-fluoranyl-but-1-en-3-ynyl]purin-6-amine

Systemtic Name: 9-[(Z)-4-diethoxyphosphoryl-1-fluoranyl-but-1-en-3-ynyl]purin-6-amine Openeye Name: 9-[(Z)-4-diethoxyphosphoryl-1-fluoro-but-1-en-3-ynyl]purin-6-amine CAS Name: 9-[(Z)-4-diethoxyphosphoryl-1-fluorobut-1-en-3-ynyl]-6-purinamine IUPAC Name: 9-[(Z)-4-diethoxyphosphoryl-1-fluorobut-1-en-3-ynyl]purin-6-amine Traditional Name: [9-[(Z)-4-diethoxyphosphoryl-1-fluoro-but-1-en-3-ynyl]purin-6-yl]amine Formula: C13H15FN5O3P MolecularWeight: 339.262064

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C#CC=C(N1C=NC2=C1N=CN=C2N)F)OCC

Isomeric SMILES

CCOP(=O)(C#C/C=C(/N1C=NC2=C1N=CN=C2N)\F)OCC

InChI

InChI=1S/C13H15FN5O3P/c1-3-21-23(20,22-4-2)7-5-6-10(14)19-9-18-11-12(15)16-8-17-13(11)19/h6,8-9H,3-4H2,1-2H3,(H2,15,16,17)/b10-6+