Compound Identification
SMILES
CO[C@H]1[C@@H](O)[C@@H](OC1=C)N1C=C(C#N)C2=C1N=CN=C2N
InChIKey
InChIKey=QKVCQUDQCLOYOP-GIPNMCIBSA-N
Formula
C13H13N5O3
Mass
287.279
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
Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Pyrimidine - Substituted pyrrole - Imidolactam - Pyrrole - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Amine - 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