O5-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] O1-methyl 2-(phenylmethoxycarbonylamino)pentanedioate

Systemtic Name: O5-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] O1-methyl 2-(phenylmethoxycarbonylamino)pentanedioate Openeye Name: O5-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] O1-methyl 2-(benzyloxycarbonylamino)pentanedioate CAS Name: 2-(phenylmethoxycarbonylamino)pentanedioic acid O5-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] ester O1-methyl ester IUPAC Name: 5-O-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] 1-O-methyl 2-(phenylmethoxycarbonylamino)pentanedioate Traditional Name: 2-(benzyloxycarbonylamino)glutaric acid O5-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl] ester O1-methyl ester Formula: C22H26N6O8 MolecularWeight: 502.47724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26N6O8/c1-33-20(31)15(25-22(32)36-11-14-5-3-2-4-6-14)7-8-16(29)35-10-9-34-13-28-12-24-17-18(28)26-21(23)27-19(17)30/h2-6,12,15H,7-11,13H2,1H3,(H,25,32)(H3,23,26,27,30)