disodium 4-azanyl-1-[(3R)-4-oxidanyl-3-(phosphonatomethoxy)butanoyl]pyrimidin-2-one

Systemtic Name: disodium 4-azanyl-1-[(3R)-4-oxidanyl-3-(phosphonatomethoxy)butanoyl]pyrimidin-2-one Openeye Name: disodium 4-amino-1-[(3R)-4-hydroxy-3-(phosphonatomethoxy)butanoyl]pyrimidin-2-one CAS Name: disodium 4-amino-1-[(3R)-4-hydroxy-1-oxo-3-(phosphonatomethoxy)butyl]-2-pyrimidinone IUPAC Name: disodium 4-amino-1-[(3R)-4-hydroxy-3-(phosphonatomethoxy)butanoyl]pyrimidin-2-one Traditional Name: disodium 4-amino-1-[(3R)-4-hydroxy-3-(phosphonatomethoxy)butanoyl]pyrimidin-2-one Formula: C9H12N3Na2O7P MolecularWeight: 351.160781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N3O7P.2Na/c10-7-1-2-12(9(15)11-7)8(14)3-6(4-13)19-5-20(16,17)18;;/h1-2,6,13H,3-5H2,(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/t6-;;/m1../s1