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1,6-Dihydro-5-(2"-nitrovinyl)-2-(methylthio)-4-{[2',3',4'-tris( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
SpectraBase Compound ID HzZGeHWZFZf
InChI InChI=1S/C18H22N4O10S/c1-8(23)30-12-7-29-17(14(32-10(3)25)13(12)31-9(2)24)19-15-11(5-6-22(27)28)16(26)21-18(20-15)33-4/h5-6,12-14,17H,7H2,1-4H3,(H2,19,20,21,26)/b6-5+/t12-,13+,14-,17-/m1/s1
InChIKey JNZVPKRRSRHTBX-UBDYDQDVSA-N
Mol Weight 486.45 g/mol
Molecular Formula C18H22N4O10S
Exact Mass 486.105664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDP3eZyTwJj
Name 1,6-Dihydro-5-(2"-nitrovinyl)-2-(methylthio)-4-{[2',3',4'-tris( O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine
Alternate Name(s) 1,6-Dihydro-5-(2''-nitrovinyl)-2-(methylthio)-4-[2',3',4'-tris(acetyloxy)-.beta.-D-xylopyranosylamino]-6-oxopyrimidine 1,6-Dihydro-5-(2''-nitrovinyl)-2-(methylthio)-4-[2',3',4'-tris(acetyloxy)-.beta.-D-xylopyranosylamino]-6-oxopyrimidine 1,6-Dihydro-5-(2''-nitrovinyl)-2-(methylthio)-4-{[2',3',4'-tris(O-acetyl)-.beta.-D-xylopyranosyl]amino}-6-oxopyrimidine 2,3,4-tri-O-acetyl-N-{2-(methylsulfanyl)-5-[(E)-2-nitroethenyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-.beta.-D-xylopyranosylamine
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Formula C18H22N4O10S
InChI InChI=1S/C18H22N4O10S/c1-8(23)30-12-7-29-17(14(32-10(3)25)13(12)31-9(2)24)19-15-11(5-6-22(27)28)16(26)21-18(20-15)33-4/h5-6,12-14,17H,7H2,1-4H3,(H2,19,20,21,26)/b6-5+/t12-,13+,14-,17-/m1/s1
InChIKey JNZVPKRRSRHTBX-UBDYDQDVSA-N
Molecular Weight 486.452 g/mol
SMILES N1C(=NC(=C(C1=O)\C=C\N(=O)=O)N[C@]1([C@@]([C@@](OC(=O)C)([C@@](CO1)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])SC
SPLASH splash10-000b-7900200000-b14f43b54d1d93998a00
Source of Spectrum Y4-86-280-2
Wiley ID 1550217