2-[6-[di(Phenyl)carbamoyloxy]-2-(isobutyrylamino)purin-9-yl]acetic acid tert-butyl ester

SpectraBase Compound ID	LZyDjxYHNFj
InChI	InChI=1S/C28H30N6O5/c1-18(2)24(36)31-26-30-23-22(29-17-33(23)16-21(35)39-28(3,4)5)25(32-26)38-27(37)34(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18H,16H2,1-5H3,(H,30,31,32,36)
InChIKey	NUDXBMUQZCSPCG-UHFFFAOYSA-N Google Search
Mol Weight	530.59 g/mol
Molecular Formula	C28H30N6O5
Exact Mass	530.227768 g/mol

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SpectraBase Spectrum ID	46ZxIZCTVZ2
Name	2-[6-[di(Phenyl)carbamoyloxy]-2-(isobutyrylamino)purin-9-yl]acetic acid tert-butyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	530.227768085 u
Formula	C28H30N6O5
InChI	InChI=1S/C28H30N6O5/c1-18(2)24(36)31-26-30-23-22(29-17-33(23)16-21(35)39-28(3,4)5)25(32-26)38-27(37)34(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18H,16H2,1-5H3,(H,30,31,32,36)
InChIKey	NUDXBMUQZCSPCG-UHFFFAOYSA-N
Molecular Weight	530.585 g/mol
SMILES	C=1(N(C2=CC=CC=C2)C(=O)OC2=NC(=NC3=C2N=CN3CC(=O)OC(C)(C)C)NC(=O)C(C)C)C=CC=CC1