Compound Identification
SMILES
CCN1C2=C(N(C)C(\C=C\C3=C(C(OC)=CC=C3)[N+]([O-])=O)=N2)C(=O)N(CC)C1=O
InChIKey
InChIKey=CDNHSPOOIPWFPF-ZHACJKMWSA-N
Formula
C19H21N5O5
Mass
399.407
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 Alkaloids and derivatives Methoxyanilines Anisoles Styrenes Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Pyrimidones Alkyl aryl ethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Nitrophenyl ether - 6-oxopurine - Purinone - Nitrobenzene - Methoxyaniline - Alkaloid or derivatives - Styrene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidone - N-substituted imidazole - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Organic nitro compound - Lactam - C-nitro compound - Urea - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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