disodium 1-[6-(dimethylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol

Systemtic Name: disodium 1-[6-(dimethylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol Openeye Name: disodium 1-[6-(dimethylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol CAS Name: disodium 1-[6-(dimethylamino)-7-purinyl]-3-(phosphonatomethoxy)-2-propanol IUPAC Name: disodium 1-[6-(dimethylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol Traditional Name: disodium 1-[6-(dimethylamino)purin-7-yl]-3-(phosphonatomethoxy)propan-2-ol Formula: C11H16N5Na2O5P MolecularWeight: 375.228541

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N(C=N2)CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

CN(C)C1=NC=NC2=C1N(C=N2)CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C11H18N5O5P.2Na/c1-15(2)11-9-10(12-5-13-11)14-6-16(9)3-8(17)4-21-7-22(18,19)20;;/h5-6,8,17H,3-4,7H2,1-2H3,(H2,18,19,20);;/q;2*+1/p-2