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benzonitrile, 2-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-
SpectraBase Compound ID CMq3Ul4oVkB
InChI InChI=1S/C15H13N5O2/c1-18-13-12(14(21)19(2)15(18)22)20(9-17-13)8-11-6-4-3-5-10(11)7-16/h3-6,9H,8H2,1-2H3
InChIKey GQKASNUZVOCVDJ-UHFFFAOYSA-N
Mol Weight 295.3 g/mol
Molecular Formula C15H13N5O2
Exact Mass 295.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HemuhOeCqkQ
Name 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-benzonitrile
Alternate Name(s) 2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzonitrile 2-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]benzonitrile 2-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]benzonitrile 2-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]benzonitrile 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile
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Formula C15H13N5O2
InChI InChI=1S/C15H13N5O2/c1-18-13-12(14(21)19(2)15(18)22)20(9-17-13)8-11-6-4-3-5-10(11)7-16/h3-6,9H,8H2,1-2H3
InChIKey GQKASNUZVOCVDJ-UHFFFAOYSA-N
Molecular Weight 295.302 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](Cc2c(C#N)cccc2)cn1
SPLASH splash10-014i-7930000000-5b45768a8d4c165fc5e2
Wiley ID 1465618