3-[[2,6-bis(methylamino)purin-9-yl]-iodanyl-methoxy]propyl 2-methylpropanoate

Systemtic Name: 3-[[2,6-bis(methylamino)purin-9-yl]-iodanyl-methoxy]propyl 2-methylpropanoate Openeye Name: 3-[[2,6-bis(methylamino)purin-9-yl]-iodo-methoxy]propyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 3-[[2,6-bis(methylamino)-9-purinyl]-iodomethoxy]propyl ester IUPAC Name: 3-[[2,6-bis(methylamino)purin-9-yl]-iodomethoxy]propyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 3-[[2,6-bis(methylamino)purin-9-yl]-iodo-methoxy]propyl ester Formula: C15H23IN6O3 MolecularWeight: 462.28599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCCCOC(N1C=NC2=C1N=C(N=C2NC)NC)I

Isomeric SMILES

CC(C)C(=O)OCCCOC(N1C=NC2=C1N=C(N=C2NC)NC)I

InChI

InChI=1S/C15H23IN6O3/c1-9(2)13(23)24-6-5-7-25-14(16)22-8-19-10-11(17-3)20-15(18-4)21-12(10)22/h8-9,14H,5-7H2,1-4H3,(H2,17,18,20,21)