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5-Cyano-2-(dimethylamino)-6-[dimethylamino(4'-benzylpiperazino)azomethino]-4-(4'-benzylpiperazino)pyrimidine
SpectraBase Compound ID 34mXLF47WK1
InChI InChI=1S/C32H42N10/c1-37(2)31-34-29(35-32(38(3)4)42-21-17-40(18-22-42)25-27-13-9-6-10-14-27)28(23-33)30(36-31)41-19-15-39(16-20-41)24-26-11-7-5-8-12-26/h5-14H,15-22,24-25H2,1-4H3/b35-32+
InChIKey VSJHQTJORCCMAE-LVYIWIAJSA-N
Mol Weight 566.8 g/mol
Molecular Formula C32H42N10
Exact Mass 566.359391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvJyEAtY4lL
Name 5-Cyano-2-(dimethylamino)-6-[dimethylamino(4'-benzylpiperazino)azomethino]-4-(4'-benzylpiperazino)pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 566.359391392 u
Formula C32H42N10
InChI InChI=1S/C32H42N10/c1-37(2)31-34-29(35-32(38(3)4)42-21-17-40(18-22-42)25-27-13-9-6-10-14-27)28(23-33)30(36-31)41-19-15-39(16-20-41)24-26-11-7-5-8-12-26/h5-14H,15-22,24-25H2,1-4H3/b35-32+
InChIKey VSJHQTJORCCMAE-LVYIWIAJSA-N
Molecular Weight 566.758 g/mol
SMILES C=1(N=C(N=C(C1C#N)\N=C\(N1CCN(CC1)CC1=CC=CC=C1)N(C)C)N(C)C)N1CCN(CC1)CC=1C=CC=CC1