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N-(1-adamantylmethyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide
SpectraBase Compound ID E593QUaQLnO
InChI InChI=1S/C20H29N3O2S/c1-2-3-16-7-17(24)23-19(22-16)26-11-18(25)21-12-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,13-15H,2-6,8-12H2,1H3,(H,21,25)(H,22,23,24)/t13-,14+,15-,20-
InChIKey UASHOOVUVOQKBP-PVGDPBLGSA-N
Mol Weight 375.53 g/mol
Molecular Formula C20H29N3O2S
Exact Mass 375.198048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OPPSNJFmFw
Name N-(1-adamantylmethyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O2S
InChI InChI=1S/C20H29N3O2S/c1-2-3-16-7-17(24)23-19(22-16)26-11-18(25)21-12-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,13-15H,2-6,8-12H2,1H3,(H,21,25)(H,22,23,24)/t13-,14+,15-,20-
InChIKey UASHOOVUVOQKBP-PVGDPBLGSA-N
Molecular Weight 375.531 g/mol
SMILES N(C(CSc1nc(cc(n1)CCC)O)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-052s-2920000000-7d870b40b0658ee51cdb
Synonyms N-(1-adamantylmethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide N-(1-adamantylmethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide N-(1-adamantylmethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide
Wiley ID 1452401