Compound Identification
SMILES
O=C(NCC1=CN=CC=C1)C1=CC=CN2C(=O)C3=C(SC4=C3CCCC4)N=C12
InChIKey
InChIKey=PLSVZMHDEAVHOP-UHFFFAOYSA-N
Formula
C21H18N4O2S
Mass
390.46
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
Thienopyrimidines Pyridinecarboxylic acids and derivatives Pyrimidones Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Pyridine carboxylic acid or derivatives - Thienopyrimidine - Pyrimidone - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen 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