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

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-iodanyl-methoxy]propyl (E)-but-2-enoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl (E)-but-2-enoate CAS Name: (E)-2-butenoic 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)-but-2-enoate Traditional Name: (E)-but-2-enoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-iodo-methoxy]propyl ester Formula: C13H18IN5O4 MolecularWeight: 435.21759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18IN5O4/c1-2-4-8(20)22-5-3-6-23-12(14)19-7-16-9-10(19)17-13(15)18-11(9)21/h2,4,12,16H,3,5-7H2,1H3,(H3,15,17,18,21)/b4-2+