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7-(2-anilinoethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

7-(2-anilinoethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9dJYfvazcAH
InChI InChI=1S/C14H15N5O2/c1-18-12-11(13(20)17-14(18)21)19(9-16-12)8-7-15-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,17,20,21)
InChIKey NXBCQDCPNDIPHS-UHFFFAOYSA-N
Mol Weight 285.31 g/mol
Molecular Formula C14H15N5O2
Exact Mass 285.122575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdHWnjVU9Un
Name 7-(2-Anilinoethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 285.122574741 u
Formula C14H15N5O2
InChI InChI=1S/C14H15N5O2/c1-18-12-11(13(20)17-14(18)21)19(9-16-12)8-7-15-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,17,20,21)
InChIKey NXBCQDCPNDIPHS-UHFFFAOYSA-N
Molecular Weight 285.307 g/mol
SMILES N1C(C=2N(CCNC3=CC=CC=C3)C=NC2N(C1=O)C)=O