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5,5-Diethyl-1,3-bis-[4-(4-phenylpiperazin-1-yl)-butyl]-pyrimidine-2,4,6-trione

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5,5-Diethyl-1,3-bis-[4-(4-phenylpiperazin-1-yl)-butyl]-pyrimidine-2,4,6-trione
SpectraBase Compound ID JR7XyhE7lPu
InChI InChI=1S/C36H52N6O3/c1-3-36(4-2)33(43)41(21-13-11-19-37-23-27-39(28-24-37)31-15-7-5-8-16-31)35(45)42(34(36)44)22-14-12-20-38-25-29-40(30-26-38)32-17-9-6-10-18-32/h5-10,15-18H,3-4,11-14,19-30H2,1-2H3
InChIKey JREDPWARYXBMGI-UHFFFAOYSA-N
Mol Weight 616.9 g/mol
Molecular Formula C36H52N6O3
Exact Mass 616.41009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzYOehXWxRy
Name 5,5-Diethyl-1,3-bis-[4-(4-phenylpiperazin-1-yl)-butyl]-pyrimidine-2,4,6-trione
Comments Computed using HOSE algorithm
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Exact Mass 616.410089555 u
Formula C36H52N6O3
InChI InChI=1S/C36H52N6O3/c1-3-36(4-2)33(43)41(21-13-11-19-37-23-27-39(28-24-37)31-15-7-5-8-16-31)35(45)42(34(36)44)22-14-12-20-38-25-29-40(30-26-38)32-17-9-6-10-18-32/h5-10,15-18H,3-4,11-14,19-30H2,1-2H3
InChIKey JREDPWARYXBMGI-UHFFFAOYSA-N
Molecular Weight 616.851 g/mol
SMILES C1(N(C(C(C(N1CCCCN1CCN(C2=CC=CC=C2)CC1)=O)(CC)CC)=O)CCCCN1CCN(CC1)C1=CC=CC=C1)=O