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6-Chloro-2,8-bis(dimethylamino)-5-(4-chlorophenyl)-4-(4-piperon-5-ylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
SpectraBase Compound ID CBqFXzhU8Cz
InChI InChI=1S/C31H32Cl2N8O2S/c1-38(2)30-34-26(33)24-23(19-6-8-20(32)9-7-19)25-27(35-31(39(3)4)37-29(25)44-28(24)36-30)41-13-11-40(12-14-41)16-18-5-10-21-22(15-18)43-17-42-21/h5-10,15,23H,11-14,16-17H2,1-4H3
InChIKey CDZSUPIXLSKZME-UHFFFAOYSA-N
Mol Weight 651.6 g/mol
Molecular Formula C31H32Cl2N8O2S
Exact Mass 650.174599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nYMp11WD9J
Name 6-Chloro-2,8-bis(dimethylamino)-5-(4-chlorophenyl)-4-(4-piperon-5-ylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
Alternate Name(s) 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-5-(4-chlorophenyl)-N(2),N(2),N(8),N(8)-tetramethyl-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidine-2,8-diamine 6-Chloro-2,8-bis(dimethylamino)-5-(4-chlorophenyl)-4-(4-piperonylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine N-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-5-(4-chlorophenyl)-8-(dimethylamino)-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 C31H32Cl2N8O2S
InChI InChI=1S/C31H32Cl2N8O2S/c1-38(2)30-34-26(33)24-23(19-6-8-20(32)9-7-19)25-27(35-31(39(3)4)37-29(25)44-28(24)36-30)41-13-11-40(12-14-41)16-18-5-10-21-22(15-18)43-17-42-21/h5-10,15,23H,11-14,16-17H2,1-4H3
InChIKey CDZSUPIXLSKZME-UHFFFAOYSA-N
Molecular Weight 651.617 g/mol
SMILES c12c(nc(nc2Sc2c(C1c1ccc(cc1)Cl)c(nc(N(C)C)n2)Cl)N(C)C)N1CCN(CC1)Cc1cc2OCOc2cc1
SPLASH splash10-000i-0900003000-98871df9ccec3d1b579a
Source of Spectrum H1-52-341-5
Wiley ID 817574