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Reference substances

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IUPAC name:
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

Inventory

EC number:
200-362-1
EC name:
Caffeine
CAS number:
58-08-2
CAS number:
58-08-2
Synonyms
Names:
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-

Molecular and structural information

Molecular formula:
C8H10N4O2
Molecular weight:
194.191
SMILES notation:
CN1C(=O)N(C)c2ncn(C)c2C1=O
InChl:
InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
Structural formula:
Chemical structure

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