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Methyl cis-3-[ 1',6'-dihydro-2'-isobutyramido-6'-oxo-9'H-purin-9'-yl]cyclopentaneacetate
SpectraBase Compound ID 64VnEXajhEQ
InChI InChI=1S/C17H23N5O4/c1-9(2)15(24)20-17-19-14-13(16(25)21-17)18-8-22(14)11-5-4-10(6-11)7-12(23)26-3/h8-11H,4-7H2,1-3H3,(H2,19,20,21,24,25)/t10-,11+/m0/s1
InChIKey RTRHJXOMXWJGTJ-WDEREUQCSA-N
Mol Weight 361.4 g/mol
Molecular Formula C17H23N5O4
Exact Mass 361.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jVLhx31IRP
Name Methyl cis-3-[ 1',6'-dihydro-2'-isobutyramido-6'-oxo-9'H-purin-9'-yl]cyclopentaneacetate
Alternate Name(s) Methyl {(1S,3R)-3-[2-(isobutyrylamino)-6-oxo-1,6-dihydro-9H-purin-9-yl]cyclopentyl}acetate
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Formula C17H23N5O4
InChI InChI=1S/C17H23N5O4/c1-9(2)15(24)20-17-19-14-13(16(25)21-17)18-8-22(14)11-5-4-10(6-11)7-12(23)26-3/h8-11H,4-7H2,1-3H3,(H2,19,20,21,24,25)/t10-,11+/m0/s1
InChIKey RTRHJXOMXWJGTJ-WDEREUQCSA-N
Molecular Weight 361.402 g/mol
SMILES N1C(c2c(N=C1NC(=O)C(C)C)[n](cn2)[C@]1(C[C@@](CC(=O)OC)(CC1)[H])[H])=O
SPLASH splash10-004i-9211000000-f9a2127d7902a26971cb
Source of Spectrum H-75-1951-14
Wiley ID 1348898