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4(N)-Benzyl-6-(benzylthio)-2-phenylpyrimidine-4,5-diamine
SpectraBase Compound ID 4CWpWBaY4bG
InChI InChI=1S/C24H22N4S/c25-21-23(26-16-18-10-4-1-5-11-18)27-22(20-14-8-3-9-15-20)28-24(21)29-17-19-12-6-2-7-13-19/h1-15H,16-17,25H2,(H,26,27,28)
InChIKey CRKVTAYPQWLKNV-UHFFFAOYSA-N
Mol Weight 398.53 g/mol
Molecular Formula C24H22N4S
Exact Mass 398.156518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERTQIBuDoPm
Name 4(N)-Benzyl-6-(benzylthio)-2-phenylpyrimidine-4,5-diamine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N4S
InChI InChI=1S/C24H22N4S/c25-21-23(26-16-18-10-4-1-5-11-18)27-22(20-14-8-3-9-15-20)28-24(21)29-17-19-12-6-2-7-13-19/h1-15H,16-17,25H2,(H,26,27,28)
InChIKey CRKVTAYPQWLKNV-UHFFFAOYSA-N
Molecular Weight 398.528 g/mol
SMILES N(c1nc(nc(c1N)SCc1ccccc1)-c1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9000000000-383377aa32c024dd6d42
Source of Spectrum AJ-41-578-6
Synonyms 2-phenyl-N4-(phenylmethyl)-6-(phenylmethylthio)pyrimidine-4,5-diamine 4-N-benzyl-6-benzylsulfanyl-2-phenylpyrimidine-4,5-diamine N4-benzyl-6-benzylsulfanyl-2-phenyl-pyrimidine-4,5-diamine 2-phenyl-N4-(phenylmethyl)-6-(phenylmethylsulfanyl)pyrimidine-4,5-diamine
Wiley ID 1567576