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4-[(2E)-Dimethylamino)ethenyl]-2-[[(N,N-dimethylamino)methylene]amino]-5-nitro-(3H)-oxo-3-[(pivaloyloxy)methyl]pyrimidine
SpectraBase Compound ID E8MKxI3EBgv
InChI InChI=1S/C17H26N6O5/c1-17(2,3)15(25)28-11-22-14(24)13(23(26)27)12(8-9-20(4)5)19-16(22)18-10-21(6)7/h8-10H,11H2,1-7H3/b9-8+,18-10+
InChIKey CIMRIKJMRKYBPE-RRPIPXOHSA-N
Mol Weight 394.43 g/mol
Molecular Formula C17H26N6O5
Exact Mass 394.196468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lbg7IGKkLFs
Name 4-[(2E)-Dimethylamino)ethenyl]-2-[[(N,N-dimethylamino)methylene]amino]-5-nitro-(3H)-oxo-3-[(pivaloyloxy)methyl]pyrimidine
Alternate Name(s) 2,2-Dimethylpropanoic acid [4-[(E)-2-(dimethylamino)ethenyl]-2-[(E)-dimethylaminomethylideneamino]-5-nitro-6-oxo-1-pyrimidinyl]methyl ester [4-[(E)-2-(dimethylamino)ethenyl]-2-[(E)-dimethylaminomethylideneamino]-5-nitro-6-oxopyrimidin-1-yl]methyl 2,2-dimethylpropanoate [2-[(E)-dimethylaminomethyleneamino]-4-[(E)-2-(dimethylamino)vinyl]-5-nitro-6-oxo-pyrimidin-1-yl]methyl 2,2-dimethylpropanoate [4-[(E)-2-(dimethylamino)ethenyl]-2-[(E)-dimethylaminomethylideneamino]-5-nitro-6-oxidanylidene-pyrimidin-1-yl]methyl 2,2-dimethylpropanoate
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Formula C17H26N6O5
InChI InChI=1S/C17H26N6O5/c1-17(2,3)15(25)28-11-22-14(24)13(23(26)27)12(8-9-20(4)5)19-16(22)18-10-21(6)7/h8-10H,11H2,1-7H3/b9-8+,18-10+
InChIKey CIMRIKJMRKYBPE-RRPIPXOHSA-N
Molecular Weight 394.432 g/mol
SMILES C1(N(C(=NC(=C1N(=O)=O)\C=C\N(C)C)\N=C\N(C)C)COC(C(C)(C)C)=O)=O
SPLASH splash10-03mi-0095000000-9346620c1b6c6a5468ae
Source of Spectrum J-60-7950-15
Wiley ID 1366486