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3-(7-amino-1,3-dimethyl-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-6-yl)-3-oxo-propanenitrile
SpectraBase Compound ID 2DfickXTBuI
InChI InChI=1S/C12H11N5O4/c1-16-10-7(11(20)17(2)12(16)21)8(19)6(9(14)15-10)5(18)3-4-13/h3H2,1-2H3,(H3,14,15,19)
InChIKey XAIQELWRVQJEBH-UHFFFAOYSA-N
Mol Weight 289.25 g/mol
Molecular Formula C12H11N5O4
Exact Mass 289.081104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lBCMct8AC
Name 3-(7-amino-1,3-dimethyl-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-6-yl)-3-oxo-propanenitrile
Alternate Name(s) 3-(7-amino-2,4,5-triketo-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidin-6-yl)-3-keto-propionitrile 3-[7-azanyl-1,3-dimethyl-2,4,5-tris(oxidanylidene)-8H-pyrido[2,3-d]pyrimidin-6-yl]-3-oxidanylidene-propanenitrile
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Formula C12H11N5O4
InChI InChI=1S/C12H11N5O4/c1-16-10-7(11(20)17(2)12(16)21)8(19)6(9(14)15-10)5(18)3-4-13/h3H2,1-2H3,(H3,14,15,19)
InChIKey XAIQELWRVQJEBH-UHFFFAOYSA-N
Molecular Weight 289.251 g/mol
SMILES N1C(=C(C(=O)CC#N)C(C2=C1N(C(N(C)C2=O)=O)C)=O)N
SPLASH splash10-0079-0190000000-e2cd0294630a4726d923
Source of Spectrum SK-29-3924-4
Wiley ID 880958