3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 4-methylpentanoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl 4-methylpentanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl 4-methylpentanoate CAS Name: 4-methylpentanoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodomethoxy]propyl 4-methylpentanoate Traditional Name: 4-methylvaleric acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C15H24IN5O4 MolecularWeight: 465.28663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

Isomeric SMILES

CC(C)CCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

InChI

InChI=1S/C15H24IN5O4/c1-9(2)4-5-10(22)24-6-3-7-25-14(16)21-8-18-11-12(21)19-15(17)20-13(11)23/h9,14,18H,3-8H2,1-2H3,(H3,17,19,20,23)