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7,8-DIHYDRO-7,7-DIMETHYL-2-(N,N-DIMETHYLAMINOMETHYLENEAMINO)-6-(4-METHOXYCARBONYLBUTA-1,3-DIENYL)-PTERIDIN-4(3H)-ONE

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7,8-DIHYDRO-7,7-DIMETHYL-2-(N,N-DIMETHYLAMINOMETHYLENEAMINO)-6-(4-METHOXYCARBONYLBUTA-1,3-DIENYL)-PTERIDIN-4(3H)-ONE
SpectraBase Compound ID LJxdXcH1fiE
InChI InChI=1S/C17H22N6O3/c1-17(2)11(8-6-7-9-12(24)26-5)19-13-14(22-17)20-16(21-15(13)25)18-10-23(3)4/h6-10H,1-5H3,(H2,20,21,22,25)/b8-6+,9-7+,18-10+
InChIKey CRFJGIIUMRMTHR-OYGAPTBNSA-N
Mol Weight 358.4 g/mol
Molecular Formula C17H22N6O3
Exact Mass 358.175339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gNvlsNG7Wp
Name 7,8-DIHYDRO-7,7-DIMETHYL-2-(N,N-DIMETHYLAMINOMETHYLENEAMINO)-6-(4-METHOXYCARBONYLBUTA-1,3-DIENYL)-PTERIDIN-4(3H)-ONE
Compound Number 8I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N6O3
InChI InChI=1S/C17H22N6O3/c1-17(2)11(8-6-7-9-12(24)26-5)19-13-14(22-17)20-16(21-15(13)25)18-10-23(3)4/h6-10H,1-5H3,(H2,20,21,22,25)/b8-6+,9-7+,18-10+
InChIKey CRFJGIIUMRMTHR-OYGAPTBNSA-N
Literature Reference Author C.L.GIBSON,A.LANG,K.OHTA,C.J.SUCKLING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,163(1999)
Literature Reference DOI 10.1039/a807756h
Molecular Weight 358.400 g/mol
Solvent DMSO-D6