Compound Identification
SMILES
CCN1C2=C(NC(\C=C\C3=C(C(OC)=CC=C3)[N+]([O-])=O)=N2)C(=O)N(CC)C1=O
InChIKey
InChIKey=YSBOZOHGKSJUID-MDZDMXLPSA-N
Formula
C18H19N5O5
Mass
385.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
Nitrophenyl ethers 6-oxopurines Methoxyanilines Alkaloids and derivatives Methoxybenzenes Nitroaromatic compounds Anisoles Styrenes Phenoxy compounds Alkyl aryl ethers Pyrimidones Imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Methoxyaniline - Alkaloid or derivatives - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Styrene - Nitroaromatic compound - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Organic nitro compound - Lactam - C-nitro compound - Urea - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available