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(Q83080629)
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English
beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-tricyclo(3.3.1.1(sup 3,7)dec-1-yl)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
414.20155331200004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₆N₆O₄
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canonical SMILES
Nc1ncnc2c1ncn2C1OC(C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O
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Identifiers
InChI
InChI=1S/C20H26N6O4/c21-16-12-17(23-7-22-16)26(8-24-12)19-14(28)13(27)15(30-19)18(29)25-20-4-9-1-10(5-20)3-11(2-9)6-20/h7-11,13-15,19,27-28H,1-6H2,(H,25,29)(H2,21,22,23)/t9?,10?,11?,13-,14+,15-,19+,20?/m0/s1
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InChIKey
CPOJGSHCVPOTHR-XAWDNZOJSA-N
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CAS Registry Number
58048-16-1
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PubChem CID
64394
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UniChem compound ID
44470508
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60206768
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DSSTOX compound identifier
DTXCID90129259
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