Compound Identification
SMILES
COC(=O)C1=C(C)N(N)C2=C1C(=O)N(C(C)=N2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KYZIFUKUNJJHTF-UHFFFAOYSA-N
Formula
C16H15ClN4O3
Mass
346.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolopyrimidines
- Subclass Pyrrolo[2,3-d]pyrimidines
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Class
Pyrrolopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Pyrrolo[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolo[2,3-d]pyrimidines
Alternative Parents
Pyrrole carboxylic acids and derivatives Pyrimidones Chlorobenzenes Substituted pyrroles Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Pyrrole - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
External Descriptors
Not available