disodium 5-azanyl-2-[(2S)-3-oxidanyl-2-(phosphonatomethoxy)propyl]-1,2,4-triazin-3-one

Systemtic Name: disodium 5-azanyl-2-[(2S)-3-oxidanyl-2-(phosphonatomethoxy)propyl]-1,2,4-triazin-3-one Openeye Name: disodium 5-amino-2-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-1,2,4-triazin-3-one CAS Name: disodium 5-amino-2-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-1,2,4-triazin-3-one IUPAC Name: disodium 5-amino-2-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-1,2,4-triazin-3-one Traditional Name: disodium 5-amino-2-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-1,2,4-triazin-3-one Formula: C7H11N4Na2O6P MolecularWeight: 324.138741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13N4O6P.2Na/c8-6-1-9-11(7(13)10-6)2-5(3-12)17-4-18(14,15)16;;/h1,5,12H,2-4H2,(H2,8,10,13)(H2,14,15,16);;/q;2*+1/p-2/t5-;;/m0../s1