9-[(Z)-2-bromanyl-4-diethoxyphosphoryl-4,4-bis(fluoranyl)but-2-enyl]purin-6-amine

Systemtic Name: 9-[(Z)-2-bromanyl-4-diethoxyphosphoryl-4,4-bis(fluoranyl)but-2-enyl]purin-6-amine Openeye Name: 9-[(Z)-2-bromo-4-diethoxyphosphoryl-4,4-difluoro-but-2-enyl]purin-6-amine CAS Name: 9-[(Z)-2-bromo-4-diethoxyphosphoryl-4,4-difluorobut-2-enyl]-6-purinamine IUPAC Name: 9-[(Z)-2-bromo-4-diethoxyphosphoryl-4,4-difluorobut-2-enyl]purin-6-amine Traditional Name: [9-[(Z)-2-bromo-4-diethoxyphosphoryl-4,4-difluoro-but-2-enyl]purin-6-yl]amine Formula: C13H17BrF2N5O3P MolecularWeight: 440.180347

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C=C(CN1C=NC2=C1N=CN=C2N)Br)(F)F)OCC

Isomeric SMILES

CCOP(=O)(C(/C=C(/CN1C=NC2=C1N=CN=C2N)\Br)(F)F)OCC

InChI

InChI=1S/C13H17BrF2N5O3P/c1-3-23-25(22,24-4-2)13(15,16)5-9(14)6-21-8-20-10-11(17)18-7-19-12(10)21/h5,7-8H,3-4,6H2,1-2H3,(H2,17,18,19)/b9-5-