Compound Identification
SMILES
NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C#N)N1
InChIKey
InChIKey=BHISGKIFGRHLAL-UHFFFAOYSA-N
Formula
C15H13N5O
Mass
279.303
Taxonomic Classification
Taxonomy Tree
-
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
Benzonitriles Pyrimidones Aminopyrimidines and derivatives Substituted pyrroles Vinylogous amides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Benzonitrile - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Carbonitrile - Nitrile - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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