Compound Identification
SMILES
CC1=CSC(=C1)C1=C2C=CNC2=NC(NC2=CC=C(CN3C=CN=C3)C=C2)=N1
InChIKey
InChIKey=ZERFBEHKMBKGGD-UHFFFAOYSA-N
Formula
C21H18N6S
Mass
386.48
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
Aniline and substituted anilines Aminopyrimidines and derivatives N-substituted imidazoles Thiophenes Pyrroles Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Thiophene - Pyrrole - Imidazole - Azole - Heteroaromatic compound - Secondary amine - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - 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