Compound Identification
SMILES
CCCC[C@H](N1C(=S)NC2=C(N=CC=C2)C1=O)C(O)=O
InChIKey
InChIKey=XJJHUTGUJFDMCK-VIFPVBQESA-N
Formula
C13H15N3O3S
Mass
293.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
Alpha amino acids and derivatives Medium-chain fatty acids 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Heterocyclic fatty acids Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Lactams Thioureas Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyridopyrimidine - Medium-chain fatty acid - 2-thiopyrimidine - Heterocyclic fatty acid - Thiopyrimidine - Pyrimidone - Pyrimidinethione - Pyridine - Fatty acyl - Fatty acid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a 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