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2,8-Bis(dimethylamino)-4,6-diethoxy-5-(4-chlorophenyl)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
SpectraBase Compound ID 8G1hnW8nHW6
InChI InChI=1S/C23H27ClN6O2S/c1-7-31-18-16-15(13-9-11-14(24)12-10-13)17-19(32-8-2)26-23(30(5)6)28-21(17)33-20(16)27-22(25-18)29(3)4/h9-12,15H,7-8H2,1-6H3
InChIKey YCJMIZJXXVIUNA-UHFFFAOYSA-N
Mol Weight 487.02 g/mol
Molecular Formula C23H27ClN6O2S
Exact Mass 486.160473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ClcPXErddp
Name 2,8-Bis(dimethylamino)-4,6-diethoxy-5-(4-chlorophenyl)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
Alternate Name(s) 5-(4-chlorophenyl)-4,6-diethoxy-N(2),N(2),N(8),N(8)-tetramethyl-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidine-2,8-diamine N-[5-(4-chlorophenyl)-8-(dimethylamino)-4,6-diethoxy-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidin-2-yl]-N,N-dimethylamine
Comments Less than 3 mono-isotopic peaks
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Formula C23H27ClN6O2S
InChI InChI=1S/C23H27ClN6O2S/c1-7-31-18-16-15(13-9-11-14(24)12-10-13)17-19(32-8-2)26-23(30(5)6)28-21(17)33-20(16)27-22(25-18)29(3)4/h9-12,15H,7-8H2,1-6H3
InChIKey YCJMIZJXXVIUNA-UHFFFAOYSA-N
Molecular Weight 487.022 g/mol
SMILES c12nc(N(C)C)nc(c2C(c2ccc(cc2)Cl)c2c(S1)nc(N(C)C)nc2OCC)OCC
SPLASH splash10-004i-0009200000-2791a4b11346baae1c58
Source of Spectrum H1-52-342-6
Wiley ID 817566