2-[[2-(3-methylbutanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 3-methylbutanoate

Systemtic Name: 2-[[2-(3-methylbutanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 3-methylbutanoate Openeye Name: 2-[[2-(3-methylbutanoylamino)-6-oxo-3H-purin-9-yl]methoxy]ethyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 2-[[2-[(3-methyl-1-oxobutyl)amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[2-(3-methylbutanoylamino)-6-oxo-3H-purin-9-yl]methoxy]ethyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 2-[[2-(isovalerylamino)-6-keto-3H-purin-9-yl]methoxy]ethyl ester Formula: C18H27N5O5 MolecularWeight: 393.43748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COCCOC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COCCOC(=O)CC(C)C

InChI

InChI=1S/C18H27N5O5/c1-11(2)7-13(24)20-18-21-16-15(17(26)22-18)19-9-23(16)10-27-5-6-28-14(25)8-12(3)4/h9,11-12H,5-8,10H2,1-4H3,(H2,20,21,22,24,26)