O4-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] O1-methyl 2-(phenylmethoxycarbonylamino)butanedioate

Systemtic Name: O4-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl] O1-methyl 2-(phenylmethoxycarbonylamino)butanedioate Openeye Name: O4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] O1-methyl 2-(benzyloxycarbonylamino)butanedioate CAS Name: 2-(phenylmethoxycarbonylamino)butanedioic acid O4-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl] 1-O-methyl 2-(phenylmethoxycarbonylamino)butanedioate Traditional Name: 2-(benzyloxycarbonylamino)succinic acid O4-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl] ester O1-methyl ester Formula: C21H24N6O8 MolecularWeight: 488.45066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O8/c1-32-19(30)14(24-21(31)35-10-13-5-3-2-4-6-13)9-15(28)34-8-7-33-12-27-11-23-16-17(27)25-20(22)26-18(16)29/h2-6,11,14H,7-10,12H2,1H3,(H,24,31)(H3,22,25,26,29)