Compound Identification
SMILES
COC1=CC2=C(NC3=C2NC(=O)N(N=CC2=CC=C(C=C2)[N+]([O-])=O)C3=O)C=C1
InChIKey
InChIKey=BPXPATQUBIRSQE-UHFFFAOYSA-N
Formula
C18H13N5O5
Mass
379.332
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Nitrobenzenes Indoles Anisoles Nitroaromatic compounds Pyrimidones Alkyl aryl ethers Vinylogous amides Pyrroles Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Indole or derivatives - Nitrobenzene - Pyrrolopyrimidine - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Lactam - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic oxide - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available