Compound Identification
SMILES
COC1=CC2=C(NC3=C2N=CN(\N=C/C2=CC=C(F)C=C2)C3=O)C=C1
InChIKey
InChIKey=IBCGILXAQSVXBQ-NKVSQWTQSA-N
Formula
C18H13FN4O2
Mass
336.326
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Indoles Anisoles Pyrimidones Fluorobenzenes Alkyl aryl ethers Aryl fluorides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Indole or derivatives - Pyrrolopyrimidine - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Pyrrole - Lactam - Azacycle - Ether - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available