Compound Identification
SMILES
C[C@@H](CC1=CC=CC=C1)N(C)CCNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C.C[C@H](CC1=CC=CC=C1)N(C)CCNC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=CIWHCNJUIDITNZ-IKFJUQJOSA-N
Formula
C40H56N12O4
Mass
768.968
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 Amphetamines and derivatives Alkaloids and derivatives Phenylpropanes Aralkylamines Pyrimidones N-substituted imidazoles Aminoimidazoles Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Amphetamine or derivatives - Purinone - Phenylpropane - Alkaloid or derivatives - Pyrimidone - Aralkylamine - Benzenoid - Aminoimidazole - Monocyclic benzene moiety - Pyrimidine - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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