disodium 1-(6-aminopurin-9-yl)-3-(phosphonatomethylamino)propan-2-ol

Systemtic Name: disodium 1-(6-aminopurin-9-yl)-3-(phosphonatomethylamino)propan-2-ol Openeye Name: disodium 1-(6-aminopurin-9-yl)-3-(phosphonatomethylamino)propan-2-ol CAS Name: disodium 1-(6-aminopurin-9-yl)-3-(phosphonatomethylamino)-2-propanol IUPAC Name: disodium 1-(6-aminopurin-9-yl)-3-(phosphonatomethylamino)propan-2-ol Traditional Name: disodium 1-adenin-9-yl-3-(phosphonatomethylamino)propan-2-ol Formula: C9H13N6Na2O4P MolecularWeight: 346.190621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N6O4P.2Na/c10-8-7-9(13-3-12-8)15(4-14-7)2-6(16)1-11-5-20(17,18)19;;/h3-4,6,11,16H,1-2,5H2,(H2,10,12,13)(H2,17,18,19);;/q;2*+1/p-2