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(Q82901790)
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English
1-[4-(Hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol
group of stereoisomers with the chemical formula C₁₀H₁₃N₃O₃
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
223.095691276
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₃N₃O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=c1ccn(C2OC(CO)C3CC32)c(O)n1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N=c1ccn(C2OC(CO)[C@H]3C[C@@H]23)c(O)n1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H13N3O3/c11-8-1-2-13(10(15)12-8)9-6-3-5(6)7(4-14)16-9/h1-2,5-7,9,14H,3-4H2,(H2,11,12,15)/t5-,6+,7?,9?/m0/s1
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InChIKey
RRGOIFKSCWKADS-YRQATFFOSA-N
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CAS Registry Number
131347-68-7
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PubChem CID
122847
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49990946
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40927166
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DSSTOX compound identifier
DTXCID801355965
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