[5-[6-(bromanylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [5-[6-(bromanylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [5-[6-(bromoamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [5-[6-(bromoamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [5-[6-(bromoamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [5-[6-(bromoamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C10H14BrN5O10P2 MolecularWeight: 506.097182

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NBr)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NBr)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C10H14BrN5O10P2/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(25-10)1-24-28(22,23)26-27(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,22,23)(H,12,13,15)(H2,19,20,21)