Compound Identification
SMILES
O=C(NC(=S)N1CCC2=C(C1)C(=O)N1NC(=NC1=N2)N1CCOCC1)C1=CC=CC=C1
InChIKey
InChIKey=PYYMGBRAUBXJCV-UHFFFAOYSA-N
Formula
C20H21N7O3S
Mass
439.49
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
Triazolopyrimidines Benzoic acids and derivatives Benzoyl derivatives Dialkylarylamines Pyrimidones Pyridines and derivatives Morpholines Triazoles Heteroaromatic compounds Thioureas Lactams Dialkyl ethers Carboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Benzoic acid or derivatives - Triazolopyrimidine - Benzoyl - Dialkylarylamine - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Morpholine - Pyridine - Oxazinane - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Lactam - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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