methyl 2-[3-[[6-azanyl-2-(2-ethoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]-4-methoxy-phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-ethoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]-4-methoxy-phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-ethoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-4-methoxy-phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-ethoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-4-methoxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-ethoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-4-methoxyphenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-ethoxyethoxy)-8-keto-7H-purin-9-yl]methyl]-4-methoxy-phenyl]acetic acid methyl ester Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC(=C3)CC(=O)OC)OC

Isomeric SMILES

CCOCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC(=C3)CC(=O)OC)OC

InChI

InChI=1S/C20H25N5O6/c1-4-30-7-8-31-19-23-17(21)16-18(24-19)25(20(27)22-16)11-13-9-12(10-15(26)29-3)5-6-14(13)28-2/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,22,27)(H2,21,23,24)