Compound Identification
SMILES
CC(C)CN1C2=C(NC(CC3=CC=C(Br)C=C3)=N2)C(=O)N(C2=CC=NC=C2)C1=O
InChIKey
InChIKey=HQHZQWJALLYRCO-UHFFFAOYSA-N
Formula
C21H20BrN5O2
Mass
454.328
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyridinylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Xanthines 6-oxopurines Alkaloids and derivatives Pyrimidones Bromobenzenes Aryl bromides Pyridines and derivatives Imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridinylpyrimidine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Pyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Azacycle - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors
Not available