(5Z)-5-[(1-adamantylamino)methylene]-1-allyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

SpectraBase Compound ID	H4h9mMqJqpy
InChI	InChI=1S/C18H23N3O2S/c1-2-3-21-16(23)14(15(22)20-17(21)24)10-19-18-7-11-4-12(8-18)6-13(5-11)9-18/h2,10-13,19H,1,3-9H2,(H,20,22,24)/b14-10-/t11-,12+,13-,18-
InChIKey	CUZYJWAPYWAWBM-MEIQSYHTSA-N Google Search
Mol Weight	345.46 g/mol
Molecular Formula	C18H23N3O2S
Exact Mass	345.151098 g/mol

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SpectraBase Spectrum ID	AJlyGRHetVZ
Name	(5Z)-5-[(1-adamantylamino)methylene]-1-allyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C18H23N3O2S/c1-2-3-21-16(23)14(15(22)20-17(21)24)10-19-18-7-11-4-12(8-18)6-13(5-11)9-18/h2,10-13,19H,1,3-9H2,(H,20,22,24)/b14-10-/t11-,12+,13-,18-
InChIKey	CUZYJWAPYWAWBM-MEIQSYHTSA-N
NMR Offset	18.2243
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_5582
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D23057; Labnumber: KVEX-20014; SBI_ID: SBI-005584
Synonyms	5-[(1-adamantylamino)methylene]-1-allyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature	308 °C