5-[(2R,4S,5S)-5-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-2-yl]-1H-pyrimidine-2,4-dione

Systemtic Name: 5-[(2R,4S,5S)-5-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-2-yl]-1H-pyrimidine-2,4-dione Openeye Name: 5-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-1-ium-2-yl]-1H-pyrimidine-2,4-dione CAS Name: 5-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidin-1-iumyl]-1H-pyrimidine-2,4-dione IUPAC Name: 5-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-1-ium-2-yl]-1H-pyrimidine-2,4-dione Traditional Name: 5-[(2R,4S,5S)-4-hydroxy-5-methylol-pyrrolidin-1-ium-2-yl]uracil Formula: C9H14N3O4+ MolecularWeight: 228.22516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C([NH2+]C1C2=CNC(=O)NC2=O)CO)O

Isomeric SMILES

C1[C@@H]([C@@H]([NH2+][C@H]1C2=CNC(=O)NC2=O)CO)O

InChI

InChI=1S/C9H13N3O4/c13-3-6-7(14)1-5(11-6)4-2-10-9(16)12-8(4)15/h2,5-7,11,13-14H,1,3H2,(H2,10,12,15,16)/p+1/t5-,6+,7+/m1/s1