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methyl 4-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate

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methyl 4-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
SpectraBase Compound ID LpXvy14jrnt
InChI InChI=1S/C23H23N3O4S/c1-6-9-25-21(28)18(20(27)24-23(25)31)12-17-11-14(3)26(15(17)4)19-8-7-16(10-13(19)2)22(29)30-5/h6-8,10-12H,1,9H2,2-5H3,(H,24,27,31)/b18-12+
InChIKey NKQXVZADGTUZCQ-LDADJPATSA-N
Mol Weight 437.51 g/mol
Molecular Formula C23H23N3O4S
Exact Mass 437.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3TtsCsJ1aaD
Name methyl 4-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
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/C23H23N3O4S/c1-6-9-25-21(28)18(20(27)24-23(25)31)12-17-11-14(3)26(15(17)4)19-8-7-16(10-13(19)2)22(29)30-5/h6-8,10-12H,1,9H2,2-5H3,(H,24,27,31)/b18-12+
InChIKey NKQXVZADGTUZCQ-LDADJPATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10086
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: 1000801; UBI_ID: UBI-010089
Synonyms methyl 4-{3-[(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
Temperature 315 °C