CHEBI:109225 - 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile

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ChEBI Name 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile
ChEBI ID CHEBI:109225
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H10ClN7O
Net Charge 0
Average Mass 327.729
Monoisotopic Mass 327.06354
InChI InChI=1S/C14H10ClN7O/c15-9-1-3-10(4-2-9)22-13(17)11(5-16)12(20-14(22)23)6-21-8-18-7-19-21/h1-4,7-8H,6,17H2
InChIKey WFNNTEWBUJMZOD-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl
ChEBI Ontology
Outgoing 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile (CHEBI:109225) is a monochlorobenzenes (CHEBI:83403)
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile (CHEBI:109225) is a nitrile (CHEBI:18379)
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile (CHEBI:109225) is a pyrimidone (CHEBI:38337)
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile (CHEBI:109225) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-20622 LINCS
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Last Modified
06 April 2016