[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)butyl]phosphonic acid

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)butyl]phosphonic acid Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoro-butyl]phosphonic acid CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluorobutyl]phosphonic acid IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluorobutyl]phosphonic acid Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)-1,1-difluoro-butyl]phosphonic acid Formula: C9H12F2N5O4P MolecularWeight: 323.193247

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCC(F)(F)P(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCC(F)(F)P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H12F2N5O4P/c10-9(11,21(18,19)20)2-1-3-16-4-13-5-6(16)14-8(12)15-7(5)17/h4H,1-3H2,(H2,18,19,20)(H3,12,14,15,17)