Compound Identification
SMILES
CN1N=CC(CN2C(=O)\C(=C/C3=CC(=CN3)C(O)=O)C3=C2N=C(N)N=C3Cl)=C1C
InChIKey
InChIKey=ICFJNYDIYNJOOL-QCDXTXTGSA-N
Formula
C18H16ClN7O3
Mass
413.82
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
Pyrrole carboxylic acids Aminopyrimidines and derivatives Halopyrimidines Substituted pyrroles Aryl chlorides Imidolactams Vinylogous amides Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Amino acids Lactams Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxylic acid - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Substituted pyrrole - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Amino acid - Carboxamide group - Lactam - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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