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3-Benzylsulfanyl-6-(pentylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID Hh5bKPoIfp8
InChI InChI=1S/C29H29N5OS/c1-2-3-13-20-30-29-31-26-25(28(35)33(29)23-16-9-5-10-17-23)27(36-21-22-14-7-4-8-15-22)32-34(26)24-18-11-6-12-19-24/h4-12,14-19H,2-3,13,20-21H2,1H3,(H,30,31)
InChIKey YJZSKNJGCBIEHU-UHFFFAOYSA-N
Mol Weight 495.65 g/mol
Molecular Formula C29H29N5OS
Exact Mass 495.209282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBABllROoMW
Name 3-Benzylsulfanyl-6-(pentylamino)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29N5OS
InChI InChI=1S/C29H29N5OS/c1-2-3-13-20-30-29-31-26-25(28(35)33(29)23-16-9-5-10-17-23)27(36-21-22-14-7-4-8-15-22)32-34(26)24-18-11-6-12-19-24/h4-12,14-19H,2-3,13,20-21H2,1H3,(H,30,31)
InChIKey YJZSKNJGCBIEHU-UHFFFAOYSA-N
Molecular Weight 495.645 g/mol
SMILES N(C1=Nc2c(C(N1c1ccccc1)=O)c(n[n]2-c1ccccc1)SCc1ccccc1)CCCCC
SPLASH splash10-03dm-6200900000-bf1f1b1ac7da722a489c
Source of Spectrum AJ-41-396-5
Synonyms 6-(amylamino)-3-(benzylthio)-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-(pentylamino)-1,5-diphenyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one 6-(pentylamino)-1,5-diphenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone
Wiley ID 1567510