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6-Chloro-2,8-bis(dimethylamino)-5-(4-nitrophenyl)-4-(4-piperidino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
SpectraBase Compound ID 9WYG27txj4V
InChI InChI=1S/C24H27ClN8O2S/c1-31(2)23-27-19(14-9-11-26-12-10-14)17-16(13-5-7-15(8-6-13)33(34)35)18-20(25)28-24(32(3)4)30-22(18)36-21(17)29-23/h5-8,14,16,26H,9-12H2,1-4H3
InChIKey BHTPNXYSWKMTBS-UHFFFAOYSA-N
Mol Weight 527.05 g/mol
Molecular Formula C24H27ClN8O2S
Exact Mass 526.166621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILNZcze20Ad
Name 6-Chloro-2,8-bis(dimethylamino)-5-(4-nitrophenyl)-4-(4-piperidino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C24H27ClN8O2S
InChI InChI=1S/C24H27ClN8O2S/c1-31(2)23-27-19(14-9-11-26-12-10-14)17-16(13-5-7-15(8-6-13)33(34)35)18-20(25)28-24(32(3)4)30-22(18)36-21(17)29-23/h5-8,14,16,26H,9-12H2,1-4H3
InChIKey BHTPNXYSWKMTBS-UHFFFAOYSA-N
Molecular Weight 527.047 g/mol
SMILES N1CCC(CC1)c1c2c(nc(n1)N(C)C)Sc1c(C2c2ccc(N(=O)=O)cc2)c(nc(N(C)C)n1)Cl
SPLASH splash10-0udi-0000930000-58c6549d545569b8dded
Source of Spectrum H1-52-341-5
Wiley ID 817573