Compound Identification
SMILES
CC1=CC=CN2C(=O)C3=C(N=C12)N(CC1CCCO1)C(=N)C(=C3)S(=O)(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=IOZNKCSGJCJHJR-UHFFFAOYSA-N
Formula
C23H21BrN4O4S
Mass
529.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridopyrimidines
- Subclass Pyrido[2,3-d]pyrimidines
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Class
Pyridopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Pyrido[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[2,3-d]pyrimidines
Alternative Parents
Benzenesulfonyl compounds Pyrimidones Bromobenzenes Methylpyridines Aryl bromides Imidolactams Vinylogous amides Sulfones Oxolanes Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Benzenesulfonyl group - Bromobenzene - Methylpyridine - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Oxolane - Heteroaromatic compound - Sulfone - Sulfonyl - Vinylogous amide - Lactam - Ether - Dialkyl ether - Oxacycle - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
External Descriptors
Not available