XZWYZXLIPXDOLR-UHFFFAOYSA-N

GPTKB entity

Statements (12)
Predicate Object
gptkbp:instanceOf InChIKey
gptkbp:CASNumber 58-08-2
gptkbp:correspondsTo Caffeine
gptkbp:hasInChIKey Caffeine
gptkbp:hasMolecularFormula C8H10N4O2
gptkbp:hasSMILES CN1C=NC2=C1C(=O)N(C(=O)N2C)C
https://www.w3.org/2000/01/rdf-schema#label XZWYZXLIPXDOLR-UHFFFAOYSA-N
gptkbp:IUPACName 1,3,7-Trimethylpurine-2,6-dione
gptkbp:bfsParent gptkb:DB00740
gptkb:DB00783
gptkb:DB00303
gptkbp:bfsLayer 6