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6-Chloro-2,8-bis(dimethylamino)-5-(p-tolyl)-4-(4-piperon-5-ylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine
SpectraBase Compound ID 8LWKQ4Mxn3u
InChI InChI=1S/C32H35ClN8O2S/c1-19-6-9-21(10-7-19)24-25-27(33)34-31(38(2)3)36-29(25)44-30-26(24)28(35-32(37-30)39(4)5)41-14-12-40(13-15-41)17-20-8-11-22-23(16-20)43-18-42-22/h6-11,16,24H,12-15,17-18H2,1-5H3
InChIKey DYJFEQUNFAZAMN-UHFFFAOYSA-N
Mol Weight 631.2 g/mol
Molecular Formula C32H35ClN8O2S
Exact Mass 630.229221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQnujpjTZ4V
Name 6-Chloro-2,8-bis(dimethylamino)-5-(p-tolyl)-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-N(2),N(2),N(8),N(8)-tetramethyl-5-(4-methylphenyl)-5H-pyrimido[5',4':5,6]thiino[2,3-d]pyrimidine-2,8-diamine 6-Chloro-2,8-bis(dimethylamino)-5-(p-tolyl)-4-(4-piperonylpiperazino)-5H-thiopyrano[2,3-d:6,5-d']dipyrimidine N-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-8-(dimethylamino)-5-(4-methylphenyl)-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 C32H35ClN8O2S
InChI InChI=1S/C32H35ClN8O2S/c1-19-6-9-21(10-7-19)24-25-27(33)34-31(38(2)3)36-29(25)44-30-26(24)28(35-32(37-30)39(4)5)41-14-12-40(13-15-41)17-20-8-11-22-23(16-20)43-18-42-22/h6-11,16,24H,12-15,17-18H2,1-5H3
InChIKey DYJFEQUNFAZAMN-UHFFFAOYSA-N
Molecular Weight 631.199 g/mol
SMILES c12c(nc(nc2Sc2c(C1c1ccc(cc1)C)c(nc(N(C)C)n2)Cl)N(C)C)N1CCN(CC1)Cc1cc2OCOc2cc1
SPLASH splash10-001r-0500009000-b0bb2d86caa5ade5d721
Source of Spectrum H1-52-341-5
Wiley ID 817568