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2353-33-5 molecular structure
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4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one

ChemBase ID: 1130
Molecular Formular: C8H12N4O4
Molecular Mass: 228.20528
Monoisotopic Mass: 228.08585488
SMILES and InChIs

SMILES:
O1[C@@H]([C@@H](O)C[C@@H]1n1c(=O)nc(nc1)N)CO
Canonical SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N
InChI:
InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
InChIKey:
XAUDJQYHKZQPEU-KVQBGUIXSA-N

Cite this record

CBID:1130 http://www.chembase.cn/molecule-1130.html

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