N-Benzyl-9-[1-(methoxycarbonyl)-2-pyrrolidinyl]adenine

SpectraBase Compound ID	4E0RctMHAtE
InChI	InChI=1S/C18H20N6O2/c1-26-18(25)23-9-5-8-14(23)24-12-22-15-16(20-11-21-17(15)24)19-10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3,(H,19,20,21)
InChIKey	NKFJDRRLRVANQR-UHFFFAOYSA-N Google Search
Mol Weight	352.4 g/mol
Molecular Formula	C18H20N6O2
Exact Mass	352.164774 g/mol

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SpectraBase Spectrum ID	Lul2fpLgpEl
Name	N-Benzyl-9-[1-(methoxycarbonyl)-2-pyrrolidinyl]adenine
Alternate Name(s)	2-[6-[(phenylmethyl)amino]-9-purinyl]-1-pyrrolidinecarboxylic acid methyl ester Methyl 2-[6-(benzylamino)purin-9-yl]pyrrolidine-1-carboxylate Methyl 2-[6-[(phenylmethyl)amino]purin-9-yl]pyrrolidine-1-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H20N6O2
InChI	InChI=1S/C18H20N6O2/c1-26-18(25)23-9-5-8-14(23)24-12-22-15-16(20-11-21-17(15)24)19-10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14H,5,8-10H2,1H3,(H,19,20,21)
InChIKey	NKFJDRRLRVANQR-UHFFFAOYSA-N
Molecular Weight	352.398 g/mol
SMILES	N(c1c2c([n](C3N(C(=O)OC)CCC3)cn2)ncn1)Cc1ccccc1
SPLASH	splash10-004i-0950000000-861bcb4f9ccc169f1dd5
Source of Spectrum	U1-2010-3855-36
Wiley ID	1664009