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(Q82076737)
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English
NSC351977
group of stereoisomers with the chemical formula C₁₆H₁₇N₃O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
283.13207678400005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₇N₃O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1C2CC3c4ccccc4NC3N2C(=O)C2CCCN12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1C2C[C@@H]3c4ccccc4N[C@@H]3N2C(=O)C2CCCN12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H17N3O2/c20-15-13-8-10-9-4-1-2-5-11(9)17-14(10)19(13)16(21)12-6-3-7-18(12)15/h1-2,4-5,10,12-14,17H,3,6-8H2/t10-,12?,13?,14-/m1/s1
0 references
InChIKey
TUIOKEHXXWDGSL-WKIYYKSKSA-N
0 references
CAS Registry Number
67811-40-9
0 references
PubChem CID
336772
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
52787202
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60319943
0 references
DSSTOX compound identifier
DTXCID50271066
0 references
NSC number
351977
0 references
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