disodium 1-[6-(2-hydroxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol

Systemtic Name: disodium 1-[6-(2-hydroxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Openeye Name: disodium 1-[6-(2-hydroxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol CAS Name: disodium 1-[6-(2-hydroxyethylamino)-9-purinyl]-3-(phosphonatomethoxy)-2-propanol IUPAC Name: disodium 1-[6-(2-hydroxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Traditional Name: disodium 1-[6-(2-hydroxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Formula: C11H16N5Na2O6P MolecularWeight: 391.227941

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCCO)N=CN2CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)NCCO)N=CN2CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C11H18N5O6P.2Na/c17-2-1-12-10-9-11(14-5-13-10)16(6-15-9)3-8(18)4-22-7-23(19,20)21;;/h5-6,8,17-18H,1-4,7H2,(H,12,13,14)(H2,19,20,21);;/q;2*+1/p-2