O1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] O3-(phenylmethyl) propanedioate

Systemtic Name: O1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] O3-(phenylmethyl) propanedioate Openeye Name: O1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] O3-benzyl propanedioate CAS Name: propanedioic acid O1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] ester O3-(phenylmethyl) ester IUPAC Name: 1-O-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] 3-O-benzyl propanedioate Traditional Name: malonic acid O1-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl] ester O3-benzyl ester Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O6/c19-18-21-16-15(17(26)22-18)20-10-23(16)11-27-6-7-28-13(24)8-14(25)29-9-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H3,19,21,22,26)