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N-(4-chlorobenzyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(Z)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]guanidine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(4-chlorobenzyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(Z)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]guanidine
SpectraBase Compound ID 2SFR41E2OMu
InChI InChI=1S/C25H23ClN6O3/c1-14-12-15(2)29-25(28-14)31-24(27-13-17-8-10-18(26)11-9-17)30-21(33)16(3)32-22(34)19-6-4-5-7-20(19)23(32)35/h4-12,16H,13H2,1-3H3,(H2,27,28,29,30,31,33)
InChIKey VIQWLJZWTMADFE-UHFFFAOYSA-N
Mol Weight 490.95 g/mol
Molecular Formula C25H23ClN6O3
Exact Mass 490.152016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PyABtjdqEX
Name 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[N'-[(4-chlorophenyl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23ClN6O3
InChI InChI=1S/C25H23ClN6O3/c1-14-12-15(2)29-25(28-14)31-24(27-13-17-8-10-18(26)11-9-17)30-21(33)16(3)32-22(34)19-6-4-5-7-20(19)23(32)35/h4-12,16H,13H2,1-3H3,(H2,27,28,29,30,31,33)
InChIKey VIQWLJZWTMADFE-UHFFFAOYSA-N
Molecular Weight 490.951 g/mol
SMILES N(c1nc(C)cc(n1)C)\C(=N/C(C(N1C(c2ccccc2C1=O)=O)C)=O)NCc1ccc(cc1)Cl
SPLASH splash10-016r-1905000000-57d7eaa93d960076006f
Synonyms N-[(4-chlorophenyl)methylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-2-(1,3-dioxo-2-isoindolyl)propanamide N-[N'-(4-chlorobenzyl)-N-(4,6-dimethylpyrimidin-2-yl)amidino]-2-phthalimido-propionamide N-[N'-[(4-chlorophenyl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindol-2-yl)propanamide N-[N'-[(4-chlorophenyl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide
Wiley ID 1442909