disodium 4-azanyl-1-[(2S)-3-oxidanyl-2-(phosphonatomethoxy)propyl]pyrimidin-2-one

Systemtic Name: disodium 4-azanyl-1-[(2S)-3-oxidanyl-2-(phosphonatomethoxy)propyl]pyrimidin-2-one Openeye Name: disodium 4-amino-1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]pyrimidin-2-one CAS Name: disodium 4-amino-1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-2-pyrimidinone IUPAC Name: disodium 4-amino-1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]pyrimidin-2-one Traditional Name: disodium 4-amino-1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]pyrimidin-2-one Formula: C8H12N3Na2O6P MolecularWeight: 323.150681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C8H14N3O6P.2Na/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);;/q;2*+1/p-2/t6-;;/m0../s1