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

Systemtic Name: [1,1-bis(fluoranyl)-2-(6-oxidanylidene-3H-purin-9-yl)pent-1-en-3-yl]phosphonic acid Openeye Name: [1-ethyl-3,3-difluoro-2-(6-oxo-3H-purin-9-yl)allyl]phosphonic acid CAS Name: [1,1-difluoro-2-(6-oxo-3H-purin-9-yl)pent-1-en-3-yl]phosphonic acid IUPAC Name: [1,1-difluoro-2-(6-oxo-3H-purin-9-yl)pent-1-en-3-yl]phosphonic acid Traditional Name: [1-ethyl-3,3-difluoro-2-(6-keto-3H-purin-9-yl)allyl]phosphonic acid Formula: C10H11F2N4O4P MolecularWeight: 320.189307

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=C(F)F)N1C=NC2=C1NC=NC2=O)P(=O)(O)O

Isomeric SMILES

CCC(C(=C(F)F)N1C=NC2=C1NC=NC2=O)P(=O)(O)O

InChI

InChI=1S/C10H11F2N4O4P/c1-2-5(21(18,19)20)7(8(11)12)16-4-15-6-9(16)13-3-14-10(6)17/h3-5H,2H2,1H3,(H,13,14,17)(H2,18,19,20)