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8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS NO : 666816-98-4)

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione

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Chemical Properties & Specifications

Identifiers of 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione

Canonical Smiles
CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C
Inchi Key
HFZOBQSHTNNKFY-UHFFFAOYSA-N
Inchi
InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)
CAS Number
666816-98-4
Molecular Formula
C10H9BrN4O2
IUPAC
8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione

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