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N-(2,4-dimethylphenyl)-N'-(6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
SpectraBase Compound ID 64DfqF3E00H
InChI InChI=1S/C17H19N7OS2/c1-9-4-5-13(10(2)6-9)20-15(18)22-16-19-12(7-14(25)21-16)8-26-17-24-23-11(3)27-17/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22,25)
InChIKey KCSCWUBVNMKIKN-UHFFFAOYSA-N
Mol Weight 401.51 g/mol
Molecular Formula C17H19N7OS2
Exact Mass 401.109251 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Itmw4uSJUnL
Name N-(2,4-dimethylphenyl)-N'-(6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
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/C17H19N7OS2/c1-9-4-5-13(10(2)6-9)20-15(18)22-16-19-12(7-14(25)21-16)8-26-17-24-23-11(3)27-17/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22,25)
InChIKey KCSCWUBVNMKIKN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23469
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: D40488; Labnumber: VGU-30045; SBI_ID: SBI-023473
Temperature 308 °C