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(Q82293909)
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CHEMBL398587
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
424.16075111999993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₀N₈O₄
0 references
canonical SMILES
CNc1nc(-n2cc(-c3ccccn3)cn2)nc2c1ncn2C1OC(CO)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CNC1=C2C(=NC(=N1)N3C=C(C=N3)C4=CC=CC=N4)N(C=N2)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
0 references
Identifiers
InChI
InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18-/m1/s1
0 references
InChIKey
QNEMXBBBHJLADK-SCFUHWHPSA-N
0 references
CAS Registry Number
765299-61-4
0 references
PubChem CID
11475769
1 reference
matched by identifier from
InChIKey
InChIKey
QNEMXBBBHJLADK-SCFUHWHPSA-N
UniChem compound ID
357010
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30467107
1 reference
matched by identifier from
InChIKey
InChIKey
QNEMXBBBHJLADK-SCFUHWHPSA-N
DSSTOX compound identifier
DTXCID90417926
0 references
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