Isocaffeine
Molecular Formula:
C8H10N4O2
InChI: InChI=1/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
InChIKey: InChIKey=LPHGQDQBBGAPDZ-UHFFFAOYAK
SMILES: CN1C=NC2=C1N(C(=O)N(C2=O)C)C
Names:
EINECS 208-267-7
Isocaffeine (8CI)
Isocaffeine
NSC 28332
1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl- (9CI)
1,3,9-trimethylpurine-2,6-dione
1,3,9-Trimethylxanthine
3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
519-32-4
Registries:
PubChem CID 1326
PubChem ID 206158
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