Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2CC3CCC(C2)C3C[NH2+]CCNC2=NC=C(C=C2)[N+]([O-])=O)C(=O)N(CCC)C1=O
InChIKey
InChIKey=BVHQIFOJKJEMIS-UHFFFAOYSA-O
Formula
C27H39N8O4
Mass
539.66
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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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
6-oxopurines Alkaloids and derivatives Nitroaromatic compounds Pyrimidones Aminopyridines and derivatives Aralkylamines Imidolactams Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Imidazoles Ureas Lactams Organic oxoazanium compounds Azacyclic compounds Dialkylamines Organic salts Organooxygen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Nitroaromatic compound - Aminopyridine - Aralkylamine - Pyrimidone - Pyridine - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Lactam - C-nitro compound - Organic nitro compound - Urea - Azacycle - Organic oxoazanium - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic salt - 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