Compound Identification
SMILES
CN1C2=C(NC(COC3=CC=CC=C3[N+]([O-])=O)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=PZEVAZCBLWMXBK-UHFFFAOYSA-N
Formula
C14H13N5O5
Mass
331.288
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Class
Imidazopyrimidines
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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 Phenoxy compounds Phenol ethers Nitroaromatic compounds Pyrimidones Alkyl aryl ethers Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Xanthine - Purinone - 6-oxopurine - Alkaloid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Organic nitro compound - Urea - C-nitro compound - Lactam - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - 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