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N-{(Z)-(3-chloroanilino)[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-(3,4-dichlorophenyl)urea

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N-{(Z)-(3-chloroanilino)[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-(3,4-dichlorophenyl)urea
SpectraBase Compound ID GU9WU3b6PA8
InChI InChI=1S/C20H17Cl3N6O/c1-11-8-12(2)25-18(24-11)28-19(26-14-5-3-4-13(21)9-14)29-20(30)27-15-6-7-16(22)17(23)10-15/h3-10H,1-2H3,(H3,24,25,26,27,28,29,30)
InChIKey IFUAJDJYLSHWPV-UHFFFAOYSA-N
Mol Weight 463.76 g/mol
Molecular Formula C20H17Cl3N6O
Exact Mass 462.052942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cpZ8A5bQLb
Name N-{(Z)-(3-Chloroanilino)[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-N'-(3,4-dichlorophenyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.052942290 u
Formula C20H17Cl3N6O
InChI InChI=1S/C20H17Cl3N6O/c1-11-8-12(2)25-18(24-11)28-19(26-14-5-3-4-13(21)9-14)29-20(30)27-15-6-7-16(22)17(23)10-15/h3-10H,1-2H3,(H3,24,25,26,27,28,29,30)
InChIKey IFUAJDJYLSHWPV-UHFFFAOYSA-N
Molecular Weight 463.756 g/mol
SMILES N(C(\N=C/(NC1=NC(C)=CC(=N1)C)NC1=CC(Cl)=CC=C1)=O)C1=CC(Cl)=C(C=C1)Cl