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

Systemtic Name: O1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] O5-(phenylmethyl) pentanedioate Openeye Name: O1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] O5-benzyl pentanedioate CAS Name: pentanedioic acid O1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] ester O5-(phenylmethyl) ester IUPAC Name: 1-O-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] 5-O-benzyl pentanedioate Traditional Name: glutaric acid O1-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl] ester O5-benzyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C20H23N5O6/c21-20-23-18-17(19(28)24-20)22-12-25(18)13-29-9-10-30-15(26)7-4-8-16(27)31-11-14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-11,13H2,(H3,21,23,24,28)