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5,5'-(5-Nitrosalicylidene)bis(4,6-dihydroxy-2-methylpyrimidine)
SpectraBase Compound ID KnsUNEgPqQF
InChI InChI=1S/C17H15N5O7/c1-6-18-14(24)12(15(25)19-6)11(13-16(26)20-7(2)21-17(13)27)9-5-8(22(28)29)3-4-10(9)23/h3-5,11,23H,1-2H3,(H2,18,19,24,25)(H2,20,21,26,27)
InChIKey BQSBGDXZNNDPBU-UHFFFAOYSA-N
Mol Weight 401.34 g/mol
Molecular Formula C17H15N5O7
Exact Mass 401.097148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Igh9dreVVc4
Name 5,5'-(5-Nitrosalicylidene)bis(4,6-dihydroxy-2-methylpyrimidine)
Alternate Name(s) 2-Methyl-5-[(2-methyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one 4-Hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)-(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-6-one 4-Hydroxy-5-[(4-hydroxy-6-keto-2-methyl-1H-pyrimidin-5-yl)-(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-6-one
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Formula C17H15N5O7
InChI InChI=1S/C17H15N5O7/c1-6-18-14(24)12(15(25)19-6)11(13-16(26)20-7(2)21-17(13)27)9-5-8(22(28)29)3-4-10(9)23/h3-5,11,23H,1-2H3,(H2,18,19,24,25)(H2,20,21,26,27)
InChIKey BQSBGDXZNNDPBU-UHFFFAOYSA-N
Molecular Weight 401.335 g/mol
SMILES Oc1nc(nc(c1C(c1c(nc(nc1O)C)O)c1cc(ccc1O)N(=O)=O)O)C
SPLASH splash10-0006-9100000000-81a3f6ab0a3563e3c0be
Wiley ID 1468194