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6-butyl-7-(3-hydroxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione
6-butyl-7-(3-hydroxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCCCN1C(=CN2C1=NC3=C2C(=O)NC(=O)N3C)C4=CC(=CC=C4)O
Isomeric SMILES
CCCCN1C(=CN2C1=NC3=C2C(=O)NC(=O)N3C)C4=CC(=CC=C4)O
InChI
InChI=1S/C18H19N5O3/c1-3-4-8-22-13(11-6-5-7-12(24)9-11)10-23-14-15(19-17(22)23)21(2)18(26)20-16(14)25/h5-7,9-10,24H,3-4,8H2,1-2H3,(H,20,25,26)
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- [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-3-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
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