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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl (E)-oct-4-enoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl (E)-oct-4-enoate CAS Name: (E)-4-octenoic 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 (E)-oct-4-enoate Traditional Name: (E)-oct-4-enoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C17H26IN5O4 MolecularWeight: 491.32391

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)I

Isomeric SMILES

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

InChI

InChI=1S/C17H26IN5O4/c1-2-3-4-5-6-8-12(24)26-9-7-10-27-16(18)23-11-20-13-14(23)21-17(19)22-15(13)25/h4-5,16,20H,2-3,6-11H2,1H3,(H3,19,21,22,25)/b5-4+