disodium [5-(6-chloranylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: disodium [5-(6-chloranylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: disodium [5-(6-chloropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: disodium [5-(6-chloro-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: disodium [5-(6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: disodium [5-(6-chloropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C10H10ClN4Na2O7P MolecularWeight: 410.615301

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C10H12ClN4O7P.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20);;/q;2*+1/p-2