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3-(1,3-diketo-4-methyl-6-phenyl-7,8-dihydropurin[7,8-a]imidazol-2-yl)propionic acid ethyl ester
SpectraBase Compound ID D5bfX2Q0kBm
InChI InChI=1S/C19H21N5O4/c1-3-28-14(25)9-10-24-17(26)15-16(21(2)19(24)27)20-18-22(11-12-23(15)18)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKey NWKSUTNNDDWADC-UHFFFAOYSA-N
Mol Weight 383.41 g/mol
Molecular Formula C19H21N5O4
Exact Mass 383.159354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4divxZijqh
Name 3-(1,3-diketo-4-methyl-6-phenyl-7,8-dihydropurin[7,8-a]imidazol-2-yl)propionic acid ethyl ester
Alternate Name(s) 3-(4-Methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)propanoic acid ethyl ester Ethyl 3-(4-methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)propanoate Ethyl 3-[4-methyl-1,3-bis(oxidanylidene)-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl]propanoate
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Formula C19H21N5O4
InChI InChI=1S/C19H21N5O4/c1-3-28-14(25)9-10-24-17(26)15-16(21(2)19(24)27)20-18-22(11-12-23(15)18)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKey NWKSUTNNDDWADC-UHFFFAOYSA-N
Molecular Weight 383.408 g/mol
SMILES CCOC(=O)CCN1C(c2c(N(C1=O)C)nc1[n]2CCN1c1ccccc1)=O
SPLASH splash10-003r-9541000000-11c64ce8e85f8daed56b
Wiley ID 1453570