Compound Identification
SMILES
CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O.CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1
InChIKey
InChIKey=VDBPCWJYJJFANS-UHFFFAOYSA-N
Formula
C38H53N7O6S
Mass
735.95
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
Phenylpropanoic acids Aromatic monoterpenoids 6-oxopurines 3-alkylindoles Alkaloids and derivatives Phenylpropanes Aralkylamines Pyrimidones Substituted pyrroles N-substituted imidazoles Piperidines Organic sulfonamides Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Lactams Ureas Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
2-phenylpropanoic-acid - Xanthine - 6-oxopurine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Purinone - 3-alkylindole - Indole - Indole or derivatives - Phenylpropane - Alkaloid or derivatives - Aralkylamine - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Piperidine - Benzenoid - Organosulfonic acid amide - Pyrimidine - Organic sulfonic acid amide - Substituted pyrrole - Imidazole - Vinylogous amide - Azole - Aminosulfonyl compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Lactam - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organosulfur 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