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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:34977 - Sipatrigine
Main
ChEBI Ontology
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ChEBI Name
Sipatrigine
ChEBI ID
CHEBI:34977
Stars
This entity has been manually annotated by a third party.
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Formula
C15H16Cl3N5
Net Charge
0
Average Mass
372.680
Monoisotopic Mass
371.04713
InChI
InChI=1S/C15H16Cl3N5/c1-
22-
2-
4-
23(5-
3-
22)
15-
20-
8-
11(14(19)
21-
15)
10-
6-
9(16)
7-
12(17)
13(10)
18/h6-
8H,2-
5H2,1H3,(H2,19,20,21)
InChIKey
PDOCBJADCWMDGL-UHFFFAOYSA-N
SMILES
CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
ChEBI Ontology
Outgoing
Sipatrigine (
CHEBI:34977
)
is a
pyrimidines (
CHEBI:39447
)
Synonyms
Sources
BW619C89
KEGG COMPOUND
Sipatrigine
KEGG COMPOUND
Manual Xref
Database
C13852
KEGG COMPOUND
View more database links
Registry Number
Type
Source
130800-90-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014