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1,6-Dihydro-5-(2"-nitrovinyl)-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine
SpectraBase Compound ID ClNyfdsHhK8
InChI InChI=1S/C22H28N4O12S/c1-10(27)34-9-15-16(35-11(2)28)17(36-12(3)29)18(37-13(4)30)20(38-15)23-19-14(7-8-26(32)33)21(31)25(5)22(24-19)39-6/h7-8,15-18,20,23H,9H2,1-6H3/b8-7+/t15-,16-,17+,18-,20-/m1/s1
InChIKey WZTBNYIDDOBLFX-OLSNFVIESA-N
Mol Weight 572.54 g/mol
Molecular Formula C22H28N4O12S
Exact Mass 572.142444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w3oyosMEzr
Name 1,6-Dihydro-5-(2"-nitrovinyl)-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis( O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine
Alternate Name(s) 1,6-Dihydro-1-methyl-5-(2''-nitrovinyl)-2-(methylthio)-4-[2',3',4',6'-tetrakis(acetyloxy)-.beta.-D-glucopyranosylamino]-6-oxopyrimidine 1,6-Dihydro-1-methyl-5-(2''-nitrovinyl)-2-(methylthio)-4-[2',3',4',6'-tetrakis(acetyloxy)-.beta.-D-glucopyranosylamino]-6-oxopyrimidine 1,6-Dihydro-5-(2''-nitrovinyl)-2-(methylthio)-1-methyl-4-{[2',3',4',6'-tetrakis(O-acetyl)-.beta.-D-glucopyranosyl]amino}-6-oxopyrimidine 2,3,4,6-tetra-O-acetyl-N-{1-methyl-2-(methylsulfanyl)-5-[(E)-2-nitroethenyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-.beta.-D-glucopyranosylamine
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Formula C22H28N4O12S
InChI InChI=1S/C22H28N4O12S/c1-10(27)34-9-15-16(35-11(2)28)17(36-12(3)29)18(37-13(4)30)20(38-15)23-19-14(7-8-26(32)33)21(31)25(5)22(24-19)39-6/h7-8,15-18,20,23H,9H2,1-6H3/b8-7+/t15-,16-,17+,18-,20-/m1/s1
InChIKey WZTBNYIDDOBLFX-OLSNFVIESA-N
Molecular Weight 572.542 g/mol
SMILES N([C@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])C=1N=C(SC)N(C(C1\C=C\N(=O)=O)=O)C
SPLASH splash10-000b-8930020000-169038bd727baea2ac78
Source of Spectrum Y4-86-280-2
Wiley ID 1550214