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2-(N,N-DIMETHYLAMINOMETHYLENEAMINO)-6-(2-METHYLCARBONYLVINYL)-PTERIDIN-4(3H)-ONE
SpectraBase Compound ID BBCctkEP2tQ
InChI InChI=1S/C13H14N6O3/c1-19(2)7-15-13-17-11-10(12(21)18-13)16-8(6-14-11)4-5-9(20)22-3/h4-7H,1-3H3,(H,14,17,18,21)/b5-4+,15-7+
InChIKey ALLJRRBKOMMZMH-POBXOWJZSA-N
Mol Weight 302.29 g/mol
Molecular Formula C13H14N6O3
Exact Mass 302.112738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGTO7iPxkzU
Name 2-(N,N-DIMETHYLAMINOMETHYLENEAMINO)-6-(2-METHYLCARBONYLVINYL)-PTERIDIN-4(3H)-ONE
Compound Number 4B
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Formula C13H14N6O3
InChI InChI=1S/C13H14N6O3/c1-19(2)7-15-13-17-11-10(12(21)18-13)16-8(6-14-11)4-5-9(20)22-3/h4-7H,1-3H3,(H,14,17,18,21)/b5-4+,15-7+
InChIKey ALLJRRBKOMMZMH-POBXOWJZSA-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 302.293 g/mol
Solvent CDCl3