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2H-1,2,3-triazole-4-carboxamide, 2-phenyl-5-[[[[2,3,6,7-tetrahydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]-

View entire compound with spectra: 1 NMR

2H-1,2,3-triazole-4-carboxamide, 2-phenyl-5-[[[[2,3,6,7-tetrahydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]-
SpectraBase Compound ID 2Yu4cXduDjQ
InChI InChI=1S/C26H25N9O4S/c1-15-9-7-8-10-16(15)13-34-20-23(32(2)26(39)33(3)24(20)38)29-25(34)40-14-18(36)28-22-19(21(27)37)30-35(31-22)17-11-5-4-6-12-17/h4-12H,13-14H2,1-3H3,(H2,27,37)(H,28,31,36)
InChIKey CLBZLZUJZVRLKZ-UHFFFAOYSA-N
Mol Weight 559.61 g/mol
Molecular Formula C26H25N9O4S
Exact Mass 559.175021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1INe3RARJQk
Name 2H-1,2,3-triazole-4-carboxamide, 2-phenyl-5-[[[[2,3,6,7-tetrahydro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 559.175021491 u
Formula C26H25N9O4S
InChI InChI=1S/C26H25N9O4S/c1-15-9-7-8-10-16(15)13-34-20-23(32(2)26(39)33(3)24(20)38)29-25(34)40-14-18(36)28-22-19(21(27)37)30-35(31-22)17-11-5-4-6-12-17/h4-12H,13-14H2,1-3H3,(H2,27,37)(H,28,31,36)
InChIKey CLBZLZUJZVRLKZ-UHFFFAOYSA-N
Molecular Weight 559.605 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17778
Solvent DMSO-d6
Source Vendor ID: NMR/11210035; Lab Info: SAD; Lab Number: 5