disodium 1-[3-oxidanyl-2-(phosphonatomethylamino)propyl]pyrimidine-2,4-dione

Systemtic Name: disodium 1-[3-oxidanyl-2-(phosphonatomethylamino)propyl]pyrimidine-2,4-dione Openeye Name: disodium 1-[3-hydroxy-2-(phosphonatomethylamino)propyl]pyrimidine-2,4-dione CAS Name: disodium 1-[3-hydroxy-2-(phosphonatomethylamino)propyl]pyrimidine-2,4-dione IUPAC Name: disodium 1-[3-hydroxy-2-(phosphonatomethylamino)propyl]pyrimidine-2,4-dione Traditional Name: disodium 1-[3-hydroxy-2-(phosphonatomethylamino)propyl]pyrimidine-2,4-quinone Formula: C8H12N3Na2O6P MolecularWeight: 323.150681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)CC(CO)NCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CN(C(=O)NC1=O)CC(CO)NCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C8H14N3O6P.2Na/c12-4-6(9-5-18(15,16)17)3-11-2-1-7(13)10-8(11)14;;/h1-2,6,9,12H,3-5H2,(H,10,13,14)(H2,15,16,17);;/q;2*+1/p-2