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Propanamide, N-cyanomethyl-3-((9H)adenin-9-yl)-2-(t-butoxycarbonylamino)-
SpectraBase Compound ID 6Sms8IlD1u4
InChI InChI=1S/C15H20N8O3/c1-15(2,3)26-14(25)22-9(13(24)18-5-4-16)6-23-8-21-10-11(17)19-7-20-12(10)23/h7-9H,5-6H2,1-3H3,(H,18,24)(H,22,25)(H2,17,19,20)
InChIKey NXVZHCDJXNPTDF-UHFFFAOYSA-N
Mol Weight 360.38 g/mol
Molecular Formula C15H20N8O3
Exact Mass 360.165837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7I4SbjBUtYi
Name Propanamide, N-cyanomethyl-3-((9H)adenin-9-yl)-2-(t-butoxycarbonylamino)-
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Formula C15H20N8O3
InChI InChI=1S/C15H20N8O3/c1-15(2,3)26-14(25)22-9(13(24)18-5-4-16)6-23-8-21-10-11(17)19-7-20-12(10)23/h7-9H,5-6H2,1-3H3,(H,18,24)(H,22,25)(H2,17,19,20)
InChIKey NXVZHCDJXNPTDF-UHFFFAOYSA-N
Molecular Weight 360.378 g/mol
SMILES Nc1c2c([n](CC(C(=O)NCC#N)NC(=O)OC(C)(C)C)cn2)ncn1
SPLASH splash10-0a4u-9400000000-7ccebb2e0d3e8fb4a491
Synonyms N-[1-(adenin-9-ylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester N-[3-(6-aminopurin-9-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester tert-Butyl 1-[(6-amino-9H-purin-9-yl)methyl]-2-[(cyanomethyl)amino]-2-oxoethylcarbamate tert-Butyl N-[1-[(6-aminopurin-9-yl)methyl]-2-(cyanomethylamino)-2-oxo-ethyl]carbamate tert-Butyl N-[3-(6-aminopurin-9-yl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate tert-Butyl N-[3-(6-aminopurin-9-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate
Wiley ID 1482879