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4-Amino-2-(4'-chlorobenzyl)-5-(4'-chlorophenyl)pyrimidine
SpectraBase Compound ID I24O9XXrxw0
InChI InChI=1S/C17H13Cl2N3/c18-13-5-1-11(2-6-13)9-16-21-10-15(17(20)22-16)12-3-7-14(19)8-4-12/h1-8,10H,9H2,(H2,20,21,22)
InChIKey MVANHUKEMBLZEJ-UHFFFAOYSA-N
Mol Weight 330.22 g/mol
Molecular Formula C17H13Cl2N3
Exact Mass 329.048653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KB3LxQyyCPo
Name 4-Amino-2-(4'-chlorobenzyl)-5-(4'-chlorophenyl)pyrimidine
CAS Registry Number 139041-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13Cl2N3
InChI InChI=1S/C17H13Cl2N3/c18-13-5-1-11(2-6-13)9-16-21-10-15(17(20)22-16)12-3-7-14(19)8-4-12/h1-8,10H,9H2,(H2,20,21,22)
InChIKey MVANHUKEMBLZEJ-UHFFFAOYSA-N
Molecular Weight 330.218 g/mol
SMILES Nc1nc(ncc1-c1ccc(cc1)Cl)Cc1ccc(cc1)Cl
SPLASH splash10-0059-1109000000-20b13144de614c9b6549
Source of Spectrum U-1992-412-3
Synonyms 2-(4-Chlorobenzyl)-5-(4-chlorophenyl)-4-pyrimidinamine 2-(4-Chlorobenzyl)-5-(4-chlorophenyl)-4-pyrimidinylamine 5-(4-Chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-pyrimidinamine 5-(4-Chlorophenyl)-2-[(4-chlorophenyl)methyl]pyrimidin-4-amine
Wiley ID 764178