Compound Identification
SMILES
O=C(N1CCNCC1)C1=CSC(NC2=NC=C3C4=C(C=NC=C4)N(C4CCCC4)C3=N2)=N1
InChIKey
InChIKey=FICIRDHVWSBGDI-UHFFFAOYSA-N
Formula
C22H24N8OS
Mass
448.55
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
Thiazolecarboxamides 2-heteroaryl carboxamides 2,4-disubstituted thiazoles Aminopyrimidines and derivatives 2-amino-1,3-thiazoles Substituted pyrroles Piperazines Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Tertiary amines Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Piperazine - Pyridine - Pyrimidine - 1,4-diazinane - Substituted pyrrole - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Azole - Thiazole - Pyrrole - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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