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(3Z)-3-[(diisopropylamino)-[[C-[6-[N-[(Z)-N'-(diisopropylcarbamoyl)-N,N-diisopropyl-amidino]-N'-propyl-amidino]-2-pyridyl]-N-propyl-carbonimidoyl]amino]methylene]-1,1-diisopropyl-urea
SpectraBase Compound ID GO6YOVNKxTO
InChI InChI=1S/C41H75N11O2/c1-19-24-42-36(45-38(49(26(3)4)27(5)6)47-40(53)51(30(11)12)31(13)14)34-22-21-23-35(44-34)37(43-25-20-2)46-39(50(28(7)8)29(9)10)48-41(54)52(32(15)16)33(17)18/h21-23,26-33H,19-20,24-25H2,1-18H3,(H,42,45,47,53)(H,43,46,48,54)
InChIKey PRUFCDIVBHUFKK-UHFFFAOYSA-N
Mol Weight 754.1 g/mol
Molecular Formula C41H75N11O2
Exact Mass 753.610521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ij8lScTXXd
Name (3Z)-3-[(diisopropylamino)-[[C-[6-[N-[(Z)-N'-(diisopropylcarbamoyl)-N,N-diisopropyl-amidino]-N'-propyl-amidino]-2-pyridyl]-N-propyl-carbonimidoyl]amino]methylene]-1,1-diisopropyl-urea
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Formula C41H75N11O2
InChI InChI=1S/C41H75N11O2/c1-19-24-42-36(45-38(49(26(3)4)27(5)6)47-40(53)51(30(11)12)31(13)14)34-22-21-23-35(44-34)37(43-25-20-2)46-39(50(28(7)8)29(9)10)48-41(54)52(32(15)16)33(17)18/h21-23,26-33H,19-20,24-25H2,1-18H3,(H,42,45,47,53)(H,43,46,48,54)
InChIKey PRUFCDIVBHUFKK-UHFFFAOYSA-N
Molecular Weight 754.126 g/mol
SMILES N(\C(c1nc(\C(=N\C(=N\C(N(C(C)C)C(C)C)=O)N(C(C)C)C(C)C)NCCC)ccc1)=N/C(=N/C(N(C(C)C)C(C)C)=O)N(C(C)C)C(C)C)CCC
SPLASH splash10-0ktr-9713070000-1c7be66e35681c6167f9
Source of Spectrum H-2005-3896-5
Synonyms (3Z)-3-[(diisopropylamino)-[[C-[6-[N-[(Z)-N'-(diisopropylcarbamoyl)-N,N-diisopropyl-carbamimidoyl]-N'-propyl-carbamimidoyl]-2-pyridyl]-N-propyl-carbonimidoyl]amino]methylene]-1,1-diisopropyl-urea (3Z)-3-[[di(propan-2-yl)amino]-[[C-[6-[N-[(Z)-N'-[di(propan-2-yl)carbamoyl]-N,N-di(propan-2-yl)carbamimidoyl]-N'-propyl-carbamimidoyl]pyridin-2-yl]-N-propyl-carbonimidoyl]amino]methylidene]-1,1-di(propan-2-yl)urea (3Z)-3-[[di(propan-2-yl)amino]-[[[6-[[[(Z)-[di(propan-2-yl)amino]-[[di(propan-2-yl)amino]-oxomethyl]iminomethyl]amino]-propyliminomethyl]-2-pyridinyl]-propyliminomethyl]amino]methylidene]-1,1-di(propan-2-yl)urea
Wiley ID 1563149