Compound Identification
SMILES
CCOC(=O)C1=CN(C(=S)N2C3=CC=CC=C3N=C12)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=VSKJSKQPIVUALL-UHFFFAOYSA-N
Formula
C19H14N4O4S
Mass
394.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazopyrimidines
Alternative Parents
Pyrimidinecarboxylic acids Benzimidazoles Nitrobenzenes Nitroaromatic compounds Pyrimidinethiones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Imidazopyrimidine - Nitrobenzene - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Nitroaromatic compound - Pyrimidinethione - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Thiourea - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazopyrimidines. These are organic polycyclic compounds containing an imidazole ring fused to a pyrimidine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. 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