2-[[8-bromanyl-2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate

Systemtic Name: 2-[[8-bromanyl-2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate Openeye Name: 2-[[8-bromo-2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[[8-bromo-2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[8-bromo-2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]methoxy]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-[[8-bromo-2-(isobutyrylamino)-6-keto-3H-purin-9-yl]methoxy]ethyl ester Formula: C16H22BrN5O5 MolecularWeight: 444.28038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN5O5/c1-8(2)12(23)20-16-19-11-10(13(24)21-16)18-15(17)22(11)7-26-5-6-27-14(25)9(3)4/h8-9H,5-7H2,1-4H3,(H2,19,20,21,23,24)