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6-amino-5-[(6-amino-1-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-chlorophenyl)methyl]-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
SpectraBase Compound ID 4ksx2PICjnZ
InChI InChI=1S/C17H17ClN6O2S2/c1-23-12(19)10(14(25)21-16(23)27)9(7-3-5-8(18)6-4-7)11-13(20)24(2)17(28)22-15(11)26/h3-6,9H,19-20H2,1-2H3,(H,21,25,27)(H,22,26,28)
InChIKey NZJWVTCFTKJSGU-UHFFFAOYSA-N
Mol Weight 436.94 g/mol
Molecular Formula C17H17ClN6O2S2
Exact Mass 436.054294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ab7UeX8W8S
Name 6-amino-5-[(6-amino-1-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-chlorophenyl)methyl]-1-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
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/C17H17ClN6O2S2/c1-23-12(19)10(14(25)21-16(23)27)9(7-3-5-8(18)6-4-7)11-13(20)24(2)17(28)22-15(11)26/h3-6,9H,19-20H2,1-2H3,(H,21,25,27)(H,22,26,28)
InChIKey NZJWVTCFTKJSGU-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34206
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: 2177012; SBI_ID: SBI-034210
Temperature 297 °C