Compound Identification
SMILES
CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N1CCN(CC#CC2=CC(=CC=C2)C#N)CC1)C1=CC=CC=C1
InChIKey
InChIKey=VCLFUSYDYJLGOH-UHFFFAOYSA-N
Formula
C31H30N8O2
Mass
546.635
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
2-heteroaryl carboxamides Benzonitriles Pyrrole carboxamides Aminopyrimidines and derivatives N-alkylpiperazines Substituted pyrroles Imidolactams Acetamides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - 2-heteroaryl carboxamide - Benzonitrile - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aminopyrimidine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Acetamide - Pyrrole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Cyanide - Organic oxygen compound - Hydrocarbon derivative - 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