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

Systemtic Name: disodium 1-[6-(2-methoxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Openeye Name: disodium 1-[6-(2-methoxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol CAS Name: disodium 1-[6-(2-methoxyethylamino)-9-purinyl]-3-(phosphonatomethoxy)-2-propanol IUPAC Name: disodium 1-[6-(2-methoxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Traditional Name: disodium 1-[6-(2-methoxyethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol Formula: C12H18N5Na2O6P MolecularWeight: 405.254521

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC2=C1N=CN2CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

COCCNC1=NC=NC2=C1N=CN2CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C12H20N5O6P.2Na/c1-22-3-2-13-11-10-12(15-6-14-11)17(7-16-10)4-9(18)5-23-8-24(19,20)21;;/h6-7,9,18H,2-5,8H2,1H3,(H,13,14,15)(H2,19,20,21);;/q;2*+1/p-2