disodium [5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate

Systemtic Name: disodium [5-(6-azanyl-2-chloranyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate Openeye Name: disodium [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: disodium [5-(6-amino-2-chloro-9-purinyl)-3-hydroxy-2-oxolanyl]methyl phosphate IUPAC Name: disodium [5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate Traditional Name: disodium [5-(6-amino-2-chloro-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C10H11ClN5Na2O6P MolecularWeight: 409.630541

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)COP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)COP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C10H13ClN5O6P.2Na/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(22-6)2-21-23(18,19)20;;/h3-6,17H,1-2H2,(H2,12,14,15)(H2,18,19,20);;/q;2*+1/p-2