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(Q83121325)
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English
2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-butyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
336.2303
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈BrN₅
0 references
canonical SMILES
CCCCNC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)Br
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Identifiers
InChI
InChI=1S/C14H18BrN5/c1-2-3-8-17-12-9-13(20-14(16)19-12)18-11-6-4-10(15)5-7-11/h4-7,9H,2-3,8H2,1H3,(H4,16,17,18,19,20)
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InChIKey
NBYSGCVETVJFJN-UHFFFAOYSA-N
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CAS Registry Number
92378-15-9
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PubChem CID
250811
1 reference
matched by identifier from
InChIKey
InChIKey
NBYSGCVETVJFJN-UHFFFAOYSA-N
UniChem compound ID
12008279
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00238987
1 reference
matched by identifier from
InChIKey
InChIKey
NBYSGCVETVJFJN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50161478
0 references
NSC number
70629
0 references
UNII
GK8Z6LY4BB
1 reference
matched by identifier from
InChIKey
InChIKey
NBYSGCVETVJFJN-UHFFFAOYSA-N
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