disodium 1-(phosphonatomethoxy)-3-(6-piperidin-1-ylpurin-9-yl)propan-2-ol

Systemtic Name: disodium 1-(phosphonatomethoxy)-3-(6-piperidin-1-ylpurin-9-yl)propan-2-ol Openeye Name: disodium 1-(phosphonatomethoxy)-3-[6-(1-piperidyl)purin-9-yl]propan-2-ol CAS Name: disodium 1-(phosphonatomethoxy)-3-[6-(1-piperidinyl)-9-purinyl]-2-propanol IUPAC Name: disodium 1-(phosphonatomethoxy)-3-(6-piperidin-1-ylpurin-9-yl)propan-2-ol Traditional Name: disodium 1-(phosphonatomethoxy)-3-(6-piperidinopurin-9-yl)propan-2-ol Formula: C14H20N5Na2O5P MolecularWeight: 415.292401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2N=CN3CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2N=CN3CC(COCP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C14H22N5O5P.2Na/c20-11(7-24-10-25(21,22)23)6-19-9-17-12-13(15-8-16-14(12)19)18-4-2-1-3-5-18;;/h8-9,11,20H,1-7,10H2,(H2,21,22,23);;/q;2*+1/p-2