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(Z/E)-2-Amino-9-[2-(benzoyloxymethyl)cyclopropylidenemethyl]-6-chloropurine
SpectraBase Compound ID 8FuGg5Aja8t
InChI InChI=1S/C17H14ClN5O2/c18-14-13-15(22-17(19)21-14)23(9-20-13)7-11-6-12(11)8-25-16(24)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H2,19,21,22)/b11-7-
InChIKey RMSFKNYQRFMZJQ-XFFZJAGNSA-N
Mol Weight 355.79 g/mol
Molecular Formula C17H14ClN5O2
Exact Mass 355.083602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQQ3FyGWrv6
Name (Z/E)-2-Amino-9-[2-(benzoyloxymethyl)cyclopropylidenemethyl]-6-chloropurine
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Formula C17H14ClN5O2
InChI InChI=1S/C17H14ClN5O2/c18-14-13-15(22-17(19)21-14)23(9-20-13)7-11-6-12(11)8-25-16(24)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H2,19,21,22)/b11-7-
InChIKey RMSFKNYQRFMZJQ-XFFZJAGNSA-N
Molecular Weight 355.785 g/mol
SMILES Nc1nc(c2c([n](\C=C/3C(COC(=O)c4ccccc4)C3)cn2)n1)Cl
SPLASH splash10-0a4i-0933000000-125fe408edd7d9a4e709
Source of Spectrum SO-0-1451-13
Synonyms {(2Z)-2-[(2-amino-6-chloro-9H-purin-9-yl)methylene]cyclopropyl}methyl benzoate
Wiley ID 875874