Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N([C@H]1C[C@H](O)[C@@H](CO)O1)C(CC1=C3C=CC4=CC=CC5=C4C3=C(C=C5)C3=CC=CC=C13)=N2
InChIKey
InChIKey=GVAFPMOPUCRNOO-JBRSBNLGSA-N
Formula
C31H25N5O4
Mass
531.572
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Pyrenes
- Subclass Benzopyrenes
-
Class
Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Benzopyrenes
Intermediate Tree Nodes
Not available
Direct Parent
Benzopyrenes
Alternative Parents
Purine 2'-deoxyribonucleosides Chrysenes Anthracenes 6-oxopurines Hypoxanthines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-a-pyrene - Chrysene - Purine 2'-deoxyribonucleoside - Purine nucleoside - Anthracene - Phenanthrene - 6-oxopurine - Hypoxanthine - Purinone - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Vinylogous amide - Azole - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
External Descriptors
Not available