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(-)-2-(4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]-BUTYL)-5,6,11,11A-TETRAHYDRO-1H-IMIDAZO-[1',5':1,6]-PYRIDO-[3,4-B]-INDOLE-1,3(2H)-DIONE

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(-)-2-(4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]-BUTYL)-5,6,11,11A-TETRAHYDRO-1H-IMIDAZO-[1',5':1,6]-PYRIDO-[3,4-B]-INDOLE-1,3(2H)-DIONE
SpectraBase Compound ID 758acPNDDf4
InChI InChI=1S/C25H29N7O2/c33-23-22-16-19-18-6-1-2-7-20(18)28-21(19)17-32(22)25(34)31(23)11-4-3-10-29-12-14-30(15-13-29)24-26-8-5-9-27-24/h1-2,5-9,22,28H,3-4,10-17H2
InChIKey VHJMGWLZKLJBII-UHFFFAOYSA-N
Mol Weight 459.55 g/mol
Molecular Formula C25H29N7O2
Exact Mass 459.238273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k2eLo0OxRq
Name 2-[4'-(4"-(2"'-Pyrimidinyl)-1"-piperazinyl)butyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5' : 1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Alternate Name(s) 2-[4'-(4''-(2'''-Pyrimidinyl)-1''-piperazinyl)butyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5' : 1,6]pyrido[3,4-b]indole-1,3(2H)-dione
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Formula C25H29N7O2
InChI InChI=1S/C25H29N7O2/c33-23-22-16-19-18-6-1-2-7-20(18)28-21(19)17-32(22)25(34)31(23)11-4-3-10-29-12-14-30(15-13-29)24-26-8-5-9-27-24/h1-2,5-9,22,28H,3-4,10-17H2
InChIKey VHJMGWLZKLJBII-UHFFFAOYSA-N
Molecular Weight 459.554 g/mol
SMILES [nH]1c2c(c3CC4C(N(C(N4Cc13)=O)CCCCN1CCN(c3ncccn3)CC1)=O)cccc2
SPLASH splash10-056r-1903100000-059415843df14173c1a4
Source of Spectrum Y-31-1238-6
Wiley ID 761649