Compound Identification
SMILES
CCCC(N1C=C(C=N1)C1=C2C=CNC2=NC=N1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=LSMKUUVNRFCGEA-UHFFFAOYSA-N
Formula
C20H18N6
Mass
342.406
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
Benzonitriles Pyrimidines and pyrimidine derivatives Pyrroles Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Benzonitrile - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Pyrazole - Pyrrole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - 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