Compound Identification
SMILES
CC(N(CC1=CN=C(C)N=C1N)C=O)=C(CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1
InChIKey
InChIKey=BTNNPSLJPBRMLZ-UHFFFAOYSA-N
Formula
C19H23N4O6PS
Mass
466.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoyl derivatives Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Thioesters Amino acids and derivatives Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiocarboxylic acid ester - Amino acid or derivatives - Carbothioic s-ester - Carboxamide group - Sulfenyl compound - Azacycle - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
CHEBI:41039 : thioester - aminopyrimidine - formamides - organic phosphate