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4,6-Diamino-1,3-bis[(4-chlorophenyl)(hydroxyimino)methyl]tetrahydropyrimidine-2(1H)-thione
SpectraBase Compound ID 26cGCZmQB12
InChI InChI=1S/C18H18Cl2N6O2S/c19-12-5-1-10(2-6-12)16(23-27)25-14(21)9-15(22)26(18(25)29)17(24-28)11-3-7-13(20)8-4-11/h1-8,14-15,27-28H,9,21-22H2
InChIKey CCPDYEIIIBEIFA-UHFFFAOYSA-N
Mol Weight 453.35 g/mol
Molecular Formula C18H18Cl2N6O2S
Exact Mass 452.0589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnvSiI8HFoI
Name 4,6-Diamino-1,3-bis[(4-chlorophenyl)(hydroxyimino)methyl]tetrahydropyrimidine-2(1H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18Cl2N6O2S
InChI InChI=1S/C18H18Cl2N6O2S/c19-12-5-1-10(2-6-12)16(23-27)25-14(21)9-15(22)26(18(25)29)17(24-28)11-3-7-13(20)8-4-11/h1-8,14-15,27-28H,9,21-22H2
InChIKey CCPDYEIIIBEIFA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201400351
Molecular Weight 453.348 g/mol
SMILES ON=C(N1C(N(C(CC1N)N)C(=NO)c1ccc(cc1)Cl)=S)c1ccc(cc1)Cl
SPLASH splash10-0uxr-0722900000-f40186f80b05921ca333
Source of Spectrum QA-62-511-19
Synonyms 4,6-Diamino-1,3-bis((4-chlorophenyl)(hydroxyimino)methyl)tetrahydropyrimidine-2(1H)-thione
Wiley ID 1796650