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(Q82355109)
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instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
219.100776656
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₃N₃O₂
0 references
canonical SMILES
CC(C)OC(=O)NC1=NC2=CC=CC=C2N1
0 references
Identifiers
InChI
InChI=1S/C11H13N3O2/c1-7(2)16-11(15)14-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,12,13,14,15)
0 references
InChIKey
MRLIFCWKRQTRBG-UHFFFAOYSA-N
0 references
CAS Registry Number
36128-66-2
0 references
PubChem CID
12550897
1 reference
matched by identifier from
InChIKey
InChIKey
MRLIFCWKRQTRBG-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL204300
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MRLIFCWKRQTRBG-UHFFFAOYSA-N
UniChem compound ID
16975600
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30502244
1 reference
matched by identifier from
InChIKey
InChIKey
MRLIFCWKRQTRBG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20453054
0 references
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