dilithium 5-(4-nitrophenyl)-1-[(2S)-3-oxidanyl-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione

Systemtic Name: dilithium 5-(4-nitrophenyl)-1-[(2S)-3-oxidanyl-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione Openeye Name: dilithium 1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-5-(4-nitrophenyl)pyrimidine-2,4-dione CAS Name: dilithium 1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-5-(4-nitrophenyl)pyrimidine-2,4-dione IUPAC Name: dilithium 1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-5-(4-nitrophenyl)pyrimidine-2,4-dione Traditional Name: dilithium 1-[(2S)-3-hydroxy-2-(phosphonatomethoxy)propyl]-5-(4-nitrophenyl)pyrimidine-2,4-quinone Formula: C14H14Li2N3O9P MolecularWeight: 413.131421

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1=CC(=CC=C1C2=CN(C(=O)NC2=O)CC(CO)OCP(=O)([O-])[O-])[N+](=O)[O-]

Isomeric SMILES

[Li+].[Li+].C1=CC(=CC=C1C2=CN(C(=O)NC2=O)C[C@@H](CO)OCP(=O)([O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N3O9P.2Li/c18-7-11(26-8-27(23,24)25)5-16-6-12(13(19)15-14(16)20)9-1-3-10(4-2-9)17(21)22;;/h1-4,6,11,18H,5,7-8H2,(H,15,19,20)(H2,23,24,25);;/q;2*+1/p-2/t11-;;/m0../s1