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6-Chloro-2,8-di(dimethylamino)-5-(4-nitrophenyl)-4-propylamino-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
SpectraBase Compound ID EkwcqRMxTnp
InChI InChI=1S/C22H25ClN8O2S/c1-6-11-24-18-16-14(12-7-9-13(10-8-12)31(32)33)15-17(23)25-21(29(2)3)27-19(15)34-20(16)28-22(26-18)30(4)5/h7-10,14H,6,11H2,1-5H3,(H,24,26,28)
InChIKey HRPQXKDTEUCLSC-UHFFFAOYSA-N
Mol Weight 501.01 g/mol
Molecular Formula C22H25ClN8O2S
Exact Mass 500.150971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WNGmWvEp97
Name 6-Chloro-2,8-di(dimethylamino)-5-(4-nitrophenyl)-4-propylamino-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C22H25ClN8O2S
InChI InChI=1S/C22H25ClN8O2S/c1-6-11-24-18-16-14(12-7-9-13(10-8-12)31(32)33)15-17(23)25-21(29(2)3)27-19(15)34-20(16)28-22(26-18)30(4)5/h7-10,14H,6,11H2,1-5H3,(H,24,26,28)
InChIKey HRPQXKDTEUCLSC-UHFFFAOYSA-N
Molecular Weight 501.009 g/mol
SMILES N(c1nc(nc2Sc3nc(N(C)C)nc(c3C(c3ccc(N(=O)=O)cc3)c12)Cl)N(C)C)CCC
SPLASH splash10-004i-0009030000-eae93712bd65e69419eb
Source of Spectrum H1-52-345-5
Synonyms 6-chloro-N(2),N(2),N(8),N(8)-tetramethyl-5-(4-nitrophenyl)-N(4)-propyl-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidine-2,4,8-triamine N-[6-chloro-2,8-bis(dimethylamino)-5-(4-nitrophenyl)-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidin-4-yl]-N-propylamine
Wiley ID 817556