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6-Chloro-2,8-bis(dimethylamino)-5-(4-chlorophenyl)-4-(piperidino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
SpectraBase Compound ID F4wMxLB3o2T
InChI InChI=1S/C24H27Cl2N7S/c1-31(2)23-27-19(26)17-16(14-8-10-15(25)11-9-14)18-20(33-12-6-5-7-13-33)28-24(32(3)4)30-22(18)34-21(17)29-23/h8-11,16H,5-7,12-13H2,1-4H3
InChIKey KOBSVQKPXZMQJZ-UHFFFAOYSA-N
Mol Weight 516.5 g/mol
Molecular Formula C24H27Cl2N7S
Exact Mass 515.14257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AX6bw67NsF7
Name 6-Chloro-2,8-bis(dimethylamino)-5-(4-chlorophenyl)-4-(piperidino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
Alternate Name(s) 4-chloro-5-(4-chlorophenyl)-N(2),N(2),N(8),N(8)-tetramethyl-6-(1-piperidinyl)-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidine-2,8-diamine N-[4-chloro-5-(4-chlorophenyl)-8-(dimethylamino)-6-(1-piperidinyl)-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 C24H27Cl2N7S
InChI InChI=1S/C24H27Cl2N7S/c1-31(2)23-27-19(26)17-16(14-8-10-15(25)11-9-14)18-20(33-12-6-5-7-13-33)28-24(32(3)4)30-22(18)34-21(17)29-23/h8-11,16H,5-7,12-13H2,1-4H3
InChIKey KOBSVQKPXZMQJZ-UHFFFAOYSA-N
Molecular Weight 516.495 g/mol
SMILES c12c(nc(nc2Sc2c(C1c1ccc(cc1)Cl)c(nc(N(C)C)n2)Cl)N(C)C)N1CCCCC1
SPLASH splash10-0udi-0000910000-3adcb78363f8974d9ceb
Source of Spectrum H1-52-340-5
Wiley ID 817575