2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-[2-[2-[2-[[3-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-3-oxidanylidene-propyl]amino]ethoxy]ethoxy]ethylamino]propanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 3-[2-[2-[2-[[3-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-3-oxidanylidene-propyl]amino]ethoxy]ethoxy]ethylamino]propanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-[2-[2-[2-[[3-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-oxo-propyl]amino]ethoxy]ethoxy]ethylamino]propanoate CAS Name: 3-[2-[2-[2-[[3-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethylamino]propanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 3-[2-[2-[2-[[3-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethylamino]propanoate Traditional Name: 3-[2-[2-[2-[[3-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy]-3-keto-propyl]amino]ethoxy]ethoxy]ethylamino]propionic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C28H42N12O10 MolecularWeight: 706.70748

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOC(=O)CCNCCOCCOCCNCCC(=O)OCCOCN3C=NC4=C3NC(=NC4=O)N)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCOC(=O)CCNCCOCCOCCNCCC(=O)OCCOCN3C=NC4=C3NC(=NC4=O)N)NC(=NC2=O)N

InChI

InChI=1S/C28H42N12O10/c29-27-35-23-21(25(43)37-27)33-15-39(23)17-47-11-13-49-19(41)1-3-31-5-7-45-9-10-46-8-6-32-4-2-20(42)50-14-12-48-18-40-16-34-22-24(40)36-28(30)38-26(22)44/h15-16,31-32H,1-14,17-18H2,(H3,29,35,37,43)(H3,30,36,38,44)