Compound Identification
SMILES
CC1=C(NNC2=CC=C(Cl)C=C2)C(=O)N(N1)C1=NC(=S)N=C2N=NC(CC#N)=C12
InChIKey
InChIKey=SBRUEGNEWFHHEW-UHFFFAOYSA-N
Formula
C17H12ClN9OS
Mass
425.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolopyrimidines
Alternative Parents
Phenylhydrazines Pyrimidinethiones Chlorobenzenes Pyrazolones Aryl chlorides Hydropyrimidines Vinylogous amides Pyrazoles Heteroaromatic compounds Amidrazones Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Nitriles Organic oxides Organochlorides Organooxygen compounds Hydrazines and derivatives Hydrocarbon derivatives Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyrimidine - Phenylhydrazine - Halobenzene - Chlorobenzene - Pyrimidinethione - 2,5-dihydropyrimidine - Hydropyrimidine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrazolinone - Pyrimidine - Benzenoid - Pyrazole - Azole - Vinylogous amide - Heteroaromatic compound - Azo compound - Carboxylic acid amidrazone - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrazine derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
External Descriptors
Not available