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N-(3-chlorophenyl)-N'-[(E)-[(4,6-dimethyl-2-pyrimidinyl)amino](2-toluidino)methylidene]urea

View entire compound with spectra: 2 NMR

N-(3-chlorophenyl)-N'-[(E)-[(4,6-dimethyl-2-pyrimidinyl)amino](2-toluidino)methylidene]urea
SpectraBase Compound ID 8fPDtBGG9ul
InChI InChI=1S/C21H21ClN6O/c1-13-7-4-5-10-18(13)26-20(27-19-23-14(2)11-15(3)24-19)28-21(29)25-17-9-6-8-16(22)12-17/h4-12H,1-3H3,(H3,23,24,25,26,27,28,29)
InChIKey BFFVGTOFVKTLOK-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C21H21ClN6O
Exact Mass 408.146537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLynOZuo79c
Name N-(3-Chlorophenyl)-N'-[(E)-[(4,6-dimethyl-2-pyrimidinyl)amino](2-toluidino)methylidene]urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.146537019 u
Formula C21H21ClN6O
InChI InChI=1S/C21H21ClN6O/c1-13-7-4-5-10-18(13)26-20(27-19-23-14(2)11-15(3)24-19)28-21(29)25-17-9-6-8-16(22)12-17/h4-12H,1-3H3,(H3,23,24,25,26,27,28,29)
InChIKey BFFVGTOFVKTLOK-UHFFFAOYSA-N
Molecular Weight 408.893 g/mol
SMILES N(C(\N=C\(NC=1N=C(C)C=C(N1)C)NC=1C(C)=CC=CC1)=O)C1=CC(Cl)=CC=C1