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5-Methyl-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

View entire compound with spectra: 1 MS (GC)

5-Methyl-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 KKQhDF5Sa6L
InChI InChI=1S/C26H31N7O2/c1-18-23-20(19-7-2-3-8-21(19)29-23)17-22-24(34)32(26(35)33(18)22)12-5-4-11-30-13-15-31(16-14-30)25-27-9-6-10-28-25/h2-3,6-10,18,22,29H,4-5,11-17H2,1H3
InChIKey WCKKKEJKJMBBGH-UHFFFAOYSA-N
Mol Weight 473.58 g/mol
Molecular Formula C26H31N7O2
Exact Mass 473.253923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7887KEjDqkG
Name 5-Methyl-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 C26H31N7O2
InChI InChI=1S/C26H31N7O2/c1-18-23-20(19-7-2-3-8-21(19)29-23)17-22-24(34)32(26(35)33(18)22)12-5-4-11-30-13-15-31(16-14-30)25-27-9-6-10-28-25/h2-3,6-10,18,22,29H,4-5,11-17H2,1H3
InChIKey WCKKKEJKJMBBGH-UHFFFAOYSA-N
Molecular Weight 473.581 g/mol
SMILES [nH]1c2ccccc2c2CC3C(N(C(N3C(c12)C)=O)CCCCN1CCN(c2ncccn2)CC1)=O
SPLASH splash10-054k-2900000000-603a0ccef27d3a26cf1c
Source of Spectrum Y-31-1238-6
Wiley ID 761648