2-[[2-(2,2-dimethylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 4-oxidanylidenepentanoate

Systemtic Name: 2-[[2-(2,2-dimethylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 4-oxidanylidenepentanoate Openeye Name: 2-[[2-(2,2-dimethylpropanoylamino)-6-oxo-3H-purin-9-yl]methoxy]ethyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid 2-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[2-(2,2-dimethylpropanoylamino)-6-oxo-3H-purin-9-yl]methoxy]ethyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid 2-[[6-keto-2-(pivaloylamino)-3H-purin-9-yl]methoxy]ethyl ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)NC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)CCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H25N5O6/c1-11(24)5-6-12(25)29-8-7-28-10-23-9-19-13-14(23)20-17(21-15(13)26)22-16(27)18(2,3)4/h9H,5-8,10H2,1-4H3,(H2,20,21,22,26,27)