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NITD008
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
NITD008.svg
675 × 270; 18 KB
0 references
mass
290.101504928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄N₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C#CC1(O)C(O)C(CO)OC1n1ccc2c(N)ncnc21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/44633776
retrieved
April 2018
InChIKey
NKRAIOQPSBRMOV-NRMKKVEVSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1044589-82-3
0 references
PubChem CID
44633776
1 reference
imported from Wikimedia project
English Wikipedia
UniChem compound ID
1017551
1 reference
stated in
UniChem
Google Knowledge Graph ID
/g/11c5rmtyf9
0 references
Sitelinks
Wikipedia
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NITD008
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NITD008
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