2-[6-[di(Phenyl)carbamoyloxy]-2-(isobutyrylamino)purin-7-yl]acetic acid methyl ester

SpectraBase Compound ID	2e4ve353DpV
InChI	InChI=1S/C25H24N6O5/c1-16(2)22(33)28-24-27-21-20(30(15-26-21)14-19(32)35-3)23(29-24)36-25(34)31(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3,(H,27,28,29,33)
InChIKey	IGTLZRSCVMRSJN-UHFFFAOYSA-N Google Search
Mol Weight	488.5 g/mol
Molecular Formula	C25H24N6O5
Exact Mass	488.180818 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	F61C3RLUCEy
Name	2-[6-[di(Phenyl)carbamoyloxy]-2-(isobutyrylamino)purin-7-yl]acetic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	488.180817892 u
Formula	C25H24N6O5
InChI	InChI=1S/C25H24N6O5/c1-16(2)22(33)28-24-27-21-20(30(15-26-21)14-19(32)35-3)23(29-24)36-25(34)31(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3,(H,27,28,29,33)
InChIKey	IGTLZRSCVMRSJN-UHFFFAOYSA-N
Molecular Weight	488.504 g/mol
SMILES	C=1(N(C2=CC=CC=C2)C(=O)OC2=NC(=NC3=C2N(CC(=O)OC)C=N3)NC(=O)C(C)C)C=CC=CC1