[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)pent-1-en-3-yl]phosphonic acid

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)pent-1-en-3-yl]phosphonic acid Openeye Name: [1-[2-(2-amino-6-oxo-3H-purin-9-yl)ethyl]-3,3-difluoro-allyl]phosphonic acid CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoropent-1-en-3-yl]phosphonic acid IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoropent-1-en-3-yl]phosphonic acid Traditional Name: [1-[2-(2-amino-6-keto-3H-purin-9-yl)ethyl]-3,3-difluoro-allyl]phosphonic acid Formula: C10H12F2N5O4P MolecularWeight: 335.203947

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(C=C(F)F)P(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(C=C(F)F)P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H12F2N5O4P/c11-6(12)3-5(22(19,20)21)1-2-17-4-14-7-8(17)15-10(13)16-9(7)18/h3-5H,1-2H2,(H2,19,20,21)(H3,13,15,16,18)