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(Q82131690)
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English
methyl 4-(7H-purin-6-ylamino)benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
269.091274592
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₁N₅O₂
0 references
canonical SMILES
COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3
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Identifiers
InChI
InChI=1S/C13H11N5O2/c1-20-13(19)8-2-4-9(5-3-8)18-12-10-11(15-6-14-10)16-7-17-12/h2-7H,1H3,(H2,14,15,16,17,18)
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InChIKey
JOPIOMJDUNZNLC-UHFFFAOYSA-N
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CAS Registry Number
6298-17-5
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PubChem CID
756646
1 reference
matched by identifier from
InChIKey
InChIKey
JOPIOMJDUNZNLC-UHFFFAOYSA-N
UniChem compound ID
374561
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80353869
1 reference
matched by identifier from
InChIKey
InChIKey
JOPIOMJDUNZNLC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80304932
0 references
NSC number
45386
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