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ETHYL-6-(3-METHYLPHENYL)-4-OXO-4,6-DIHYDRO-1(12)(13)H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE

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ETHYL-6-(3-METHYLPHENYL)-4-OXO-4,6-DIHYDRO-1(12)(13)H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE
SpectraBase Compound ID HSPyUpgoznz
InChI InChI=1S/C22H19N5O3/c1-3-30-20(29)15-12-23-21-25-22-24-16-9-4-5-10-17(16)26(22)18(27(21)19(15)28)14-8-6-7-13(2)11-14/h4-12,18H,3H2,1-2H3,(H,23,24,25)
InChIKey PISWZMPNYWIISK-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C22H19N5O3
Exact Mass 401.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwoG093IWGu
Name ETHYL-6-(3-METHYLPHENYL)-4-OXO-4,6-DIHYDRO-1(12)(13)H-PYRIMIDO-[2',1':4,5]-[1,3,5]-TRIAZINO-[1,2-A]-BENZIMIDAZOLE-3-CARBOXYLATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19N5O3
InChI InChI=1S/C22H19N5O3/c1-3-30-20(29)15-12-23-21-25-22-24-16-9-4-5-10-17(16)26(22)18(27(21)19(15)28)14-8-6-7-13(2)11-14/h4-12,18H,3H2,1-2H3,(H,23,24,25)
InChIKey PISWZMPNYWIISK-UHFFFAOYSA-N
Literature Reference Author A.V.DOLZHENKO,W.K.CHUI,A.V.DOLZHENKO
Literature Reference Citation J.HETCYCL.CHEM.,43,1513(2006)
Literature Reference DOI 10.1002/jhet.5570430614
Molecular Weight 401.425 g/mol
Sample ID 67813
Solvent DMSO-D6