[2-azanyl-1-[7,7-bis(fluoranyl)heptyl]-6-oxidanylidene-purin-7-yl]phosphonic acid

Systemtic Name: [2-azanyl-1-[7,7-bis(fluoranyl)heptyl]-6-oxidanylidene-purin-7-yl]phosphonic acid Openeye Name: [2-amino-1-(7,7-difluoroheptyl)-6-oxo-purin-7-yl]phosphonic acid CAS Name: [2-amino-1-(7,7-difluoroheptyl)-6-oxo-7-purinyl]phosphonic acid IUPAC Name: [2-amino-1-(7,7-difluoroheptyl)-6-oxopurin-7-yl]phosphonic acid Traditional Name: [2-amino-1-(7,7-difluoroheptyl)-6-keto-purin-7-yl]phosphonic acid Formula: C12H18F2N5O4P MolecularWeight: 365.272987

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1P(=O)(O)O)C(=O)N(C(=N2)N)CCCCCCC(F)F

Isomeric SMILES

C1=NC2=C(N1P(=O)(O)O)C(=O)N(C(=N2)N)CCCCCCC(F)F

InChI

InChI=1S/C12H18F2N5O4P/c13-8(14)5-3-1-2-4-6-18-11(20)9-10(17-12(18)15)16-7-19(9)24(21,22)23/h7-8H,1-6H2,(H2,15,17)(H2,21,22,23)