[5-(6-aminopurin-9-yl)-1,1-bis(fluoranyl)pent-1-en-3-yl]phosphonic acid

Systemtic Name: [5-(6-aminopurin-9-yl)-1,1-bis(fluoranyl)pent-1-en-3-yl]phosphonic acid Openeye Name: [1-[2-(6-aminopurin-9-yl)ethyl]-3,3-difluoro-allyl]phosphonic acid CAS Name: [5-(6-aminopurin-9-yl)-1,1-difluoropent-1-en-3-yl]phosphonic acid IUPAC Name: [5-(6-aminopurin-9-yl)-1,1-difluoropent-1-en-3-yl]phosphonic acid Traditional Name: [1-(2-adenin-9-ylethyl)-3,3-difluoro-allyl]phosphonic acid Formula: C10H12F2N5O3P MolecularWeight: 319.204547

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCC(C=C(F)F)P(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCC(C=C(F)F)P(=O)(O)O

InChI

InChI=1S/C10H12F2N5O3P/c11-7(12)3-6(21(18,19)20)1-2-17-5-16-8-9(13)14-4-15-10(8)17/h3-6H,1-2H2,(H2,13,14,15)(H2,18,19,20)