(+-)-3-Benzoyl-1-[(1RS,2SR,5SR)-6-thiabicyclo[3.1.0]hex-2-yl]pyrimidine-2,4(1H,3H)-dione

SpectraBase Compound ID	MFwhKsIiJm
InChI	InChI=1S/C16H14N2O3S/c19-13-8-9-17(11-6-7-12-14(11)22-12)16(21)18(13)15(20)10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,6-7H2/t11-,12-,14+/m0/s1
InChIKey	NDSFWCUFVQUNNK-SGMGOOAPSA-N Google Search
Mol Weight	314.36 g/mol
Molecular Formula	C16H14N2O3S
Exact Mass	314.072513 g/mol

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SpectraBase Spectrum ID	DGYFm0PMezc
Name	(+-)-3-Benzoyl-1-[(1RS,2SR,5SR)-6-thiabicyclo[3.1.0]hex-2-yl]pyrimidine-2,4(1H,3H)-dione
Alternate Name(s)	3-(Phenylcarbonyl)-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dione 3-Benzoyl-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hex-2-yl]-2,4(1H,3H)-pyrimidinedione 3-Benzoyl-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dione 3-Benzoyl-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-quinone 3-Benzoyl-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione 3-(Phenylcarbonyl)-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H14N2O3S
InChI	InChI=1S/C16H14N2O3S/c19-13-8-9-17(11-6-7-12-14(11)22-12)16(21)18(13)15(20)10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,6-7H2/t11-,12-,14+/m0/s1
InChIKey	NDSFWCUFVQUNNK-SGMGOOAPSA-N
Molecular Weight	314.359 g/mol
SMILES	C1(N(C(C=CN1[C@@]1([C@]2(S[C@]2(CC1)[H])[H])[H])=O)C(=O)c1ccccc1)=O
SPLASH	splash10-0ufr-4921000000-dd6d476c6f9ed0b99a0c
Source of Spectrum	K1-0-4481-36
Wiley ID	1589543