Compound Identification
SMILES
COC1=CC=CC(C=CC2=NC3=C(N2C)C(=O)N(CC#C)C(=O)N3CCCOP(O)(O)=O)=C1
InChIKey
InChIKey=DUCGTTGSVYZHJS-UHFFFAOYSA-N
Formula
C21H23N4O7P
Mass
474.41
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
6-oxopurines Alkaloids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Styrenes Monoalkyl phosphates Pyrimidones Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Acetylides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monoalkyl phosphate - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Acetylide - Azacycle - Ether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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