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1,3-Dimethyl-7-(5H-1,2,3,4-tetrazol-5-ylmethyl)purine-2,6-dione
SpectraBase Compound ID J5I7LMVtAuP
InChI InChI=1S/C9H10N8O2/c1-15-7-6(8(18)16(2)9(15)19)17(4-10-7)3-5-11-13-14-12-5/h4-5H,3H2,1-2H3
InChIKey XXCNPYKVWKHDPL-UHFFFAOYSA-N
Mol Weight 262.23 g/mol
Molecular Formula C9H10N8O2
Exact Mass 262.092672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EtcqzbagS
Name 1,3-Dimethyl-7-(5H-1,2,3,4-tetrazol-5-ylmethyl)purine-2,6-dione
Alternate Name(s) 1,3-Dimethyl-7-(5H-tetrazol-5-ylmethyl)-3,7(1H)-dihydro-purine-2,6-dione 1,3-Dimethyl-7-(5H-tetrazol-5-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-7-(5H-tetrazol-5-ylmethyl)purine-2,6-dione 1,3-Dimethyl-7-(5H-tetrazol-5-ylmethyl)xanthine
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Formula C9H10N8O2
InChI InChI=1S/C9H10N8O2/c1-15-7-6(8(18)16(2)9(15)19)17(4-10-7)3-5-11-13-14-12-5/h4-5H,3H2,1-2H3
InChIKey XXCNPYKVWKHDPL-UHFFFAOYSA-N
Molecular Weight 262.233 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CC2N=NN=N2)cn1
SPLASH splash10-07wd-9720000000-b68200906af80e0cf885
Wiley ID 1451015